2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[3-(dimethylamino)-2-pyridinyl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C28H30N8O2 — CID 162378198

IUPAC2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[3-(dimethylamino)-2-pyridinyl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCOc1ncnc(C2CC2)c1-c1nc2n(n1)CCC(=O)N2C(C)c1ccc(-c2ncccc2N(C)C)cc1
InChIInChI=1S/C28H30N8O2/c1-17(18-7-9-19(10-8-18)24-21(34(2)3)6-5-14-29-24)36-22(37)13-15-35-28(36)32-26(33-35)23-25(20-11-12-20)30-16-31-27(23)38-4/h5-10,14,16-17,20H,11-13,15H2,1-4H3
InChIKeyFTABRGWRNQDYTJ-UHFFFAOYSA-N
MW510.60 g/mol
LogP4.25
Rot. Bonds7

About 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[3-(dimethylamino)-2-pyridinyl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[3-(dimethylamino)-2-pyridinyl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 162378198) has the molecular formula C28H30N8O2 and a molecular weight of 510.60 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[3-(dimethylamino)-2-pyridinyl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[3-(dimethylamino)-2-pyridinyl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID162378198
Molecular FormulaC28H30N8O2
Molecular Weight510.60 g/mol
Exact Mass510.25
IUPAC Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[3-(dimethylamino)-2-pyridinyl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCOc1ncnc(C2CC2)c1-c1nc2n(n1)CCC(=O)N2C(C)c1ccc(-c2ncccc2N(C)C)cc1
InChIInChI=1S/C28H30N8O2/c1-17(18-7-9-19(10-8-18)24-21(34(2)3)6-5-14-29-24)36-22(37)13-15-35-28(36)32-26(33-35)23-25(20-11-12-20)30-16-31-27(23)38-4/h5-10,14,16-17,20H,11-13,15H2,1-4H3
InChIKeyFTABRGWRNQDYTJ-UHFFFAOYSA-N
XLogP4.25
TPSA102.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.60
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[3-(dimethylamino)-2-pyridinyl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one with MolForge

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Related Compounds

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[(1S)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 168841783
2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-[(1S)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 162378545
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[(1R)-1-[3-fluoro-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 168841742
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[3-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 171056949
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoro-2-methoxyphenyl]methyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 162378805
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[1-[4-[1-methyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]phenyl]ethyl]pyrido[2,3-d]pyrimidin-7-one
CID 170707409
6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[(1S)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-3-methoxypyrazolo[3,4-d]pyrimidine
CID 151347313
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-9-[(1S)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrimido[4,5-b]indole
CID 170973166
6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-(2-methyl-1-propan-2-ylimidazol-4-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine
CID 171762884
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[3-(2,2-difluoroethoxy)-2-pyridinyl]phenyl]methyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 162378830
4-cyclopropyl-5-[1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazol-3-yl]-6-methoxypyrimidine
CID 175360017
4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-[(1S)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-1,3,5-triazin-2-amine
CID 178172118

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[3-(dimethylamino)-2-pyridinyl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[3-(dimethylamino)-2-pyridinyl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 162378198) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[3-(dimethylamino)-2-pyridinyl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[3-(dimethylamino)-2-pyridinyl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[3-(dimethylamino)-2-pyridinyl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is COc1ncnc(C2CC2)c1-c1nc2n(n1)CCC(=O)N2C(C)c1ccc(-c2ncccc2N(C)C)cc1.
What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[3-(dimethylamino)-2-pyridinyl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is FTABRGWRNQDYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8O2/c1-17(18-7-9-19(10-8-18)24-21(34(2)3)6-5-14-29-24)36-22(37)13-15-35-28(36)32-26(33-35)23-25(20-11-12-20)30-16-31-27(23)38-4/h5-10,14,16-17,20H,11-13,15H2,1-4H3.
What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[3-(dimethylamino)-2-pyridinyl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[3-(dimethylamino)-2-pyridinyl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 510.60 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[3-(dimethylamino)-2-pyridinyl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 162378198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).