(5,6-dimethylpyrimidin-4-yl)-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone

C18H17N7O — CID 131697177

IUPAC(5,6-dimethylpyrimidin-4-yl)-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESCc1ncnc(C(=O)N2CCc3ncnc(-c4cncnc4)c3C2)c1C
InChIInChI=1S/C18H17N7O/c1-11-12(2)21-9-23-16(11)18(26)25-4-3-15-14(7-25)17(24-10-22-15)13-5-19-8-20-6-13/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyXHFPOHKZLRVFPD-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.54
Rot. Bonds2

About (5,6-dimethylpyrimidin-4-yl)-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone

(5,6-dimethylpyrimidin-4-yl)-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (PubChem CID 131697177) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is (5,6-dimethylpyrimidin-4-yl)-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name(5,6-dimethylpyrimidin-4-yl)-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
PubChem CID131697177
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name(5,6-dimethylpyrimidin-4-yl)-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESCc1ncnc(C(=O)N2CCc3ncnc(-c4cncnc4)c3C2)c1C
InChIInChI=1S/C18H17N7O/c1-11-12(2)21-9-23-16(11)18(26)25-4-3-15-14(7-25)17(24-10-22-15)13-5-19-8-20-6-13/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyXHFPOHKZLRVFPD-UHFFFAOYSA-N
XLogP1.54
TPSA97.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5,6-dimethylpyrimidin-4-yl)-[4-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 131696994
1-methyl-6-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)pyridin-2-one
CID 155870665
(3,3-difluorocyclobutyl)-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 131696931
(3-chloro-2-methylphenyl)-(4-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 131696916
(5,6-dimethylpyrimidin-4-yl)-[4-(4-methylpiperazin-1-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]methanone
CID 131681895
(6-ethyl-3-pyridinyl)-(4-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 131696809
2-(dimethylamino)-1-(4-pyrimidin-5-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)ethanone;2,2,2-trifluoroacetic acid
CID 118742823
(4-methylphenyl)-(4-pyridin-3-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)methanone
CID 97462065
3-methylsulfonyl-1-(4-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propan-1-one
CID 131696941
(5-methyl-1,2-oxazol-4-yl)-(4-pyridin-3-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)methanone
CID 97404823
N-[4-(4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)phenyl]prop-2-enamide
CID 166420494
(3-propan-2-yloxyphenyl)-(4-thiophen-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 131697050

Frequently Asked Questions

What is the IUPAC name of (5,6-dimethylpyrimidin-4-yl)-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The IUPAC name of (5,6-dimethylpyrimidin-4-yl)-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (CID 131697177) is (5,6-dimethylpyrimidin-4-yl)-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone.
What is the SMILES notation for (5,6-dimethylpyrimidin-4-yl)-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The canonical SMILES for (5,6-dimethylpyrimidin-4-yl)-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is Cc1ncnc(C(=O)N2CCc3ncnc(-c4cncnc4)c3C2)c1C.
What is the InChIKey of (5,6-dimethylpyrimidin-4-yl)-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The InChIKey is XHFPOHKZLRVFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-11-12(2)21-9-23-16(11)18(26)25-4-3-15-14(7-25)17(24-10-22-15)13-5-19-8-20-6-13/h5-6,8-10H,3-4,7H2,1-2H3.
What are the key properties of (5,6-dimethylpyrimidin-4-yl)-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
(5,6-dimethylpyrimidin-4-yl)-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone has a molecular weight of 347.38 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethylpyrimidin-4-yl)-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is sourced from PubChem (CID 131697177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).