4-[1-(4-chloropyrazol-1-yl)propan-2-yl]-2-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one

C18H21ClN6O — CID 136858821

IUPAC4-[1-(4-chloropyrazol-1-yl)propan-2-yl]-2-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one
SMILESCC(Cn1cc(Cl)cn1)c1cc(=O)[nH]c(N(C)CCc2ccccn2)n1
InChIInChI=1S/C18H21ClN6O/c1-13(11-25-12-14(19)10-21-25)16-9-17(26)23-18(22-16)24(2)8-6-15-5-3-4-7-20-15/h3-5,7,9-10,12-13H,6,8,11H2,1-2H3,(H,22,23,26)
InChIKeyLAVMHJPUSFMFNT-UHFFFAOYSA-N
MW372.86 g/mol
LogP2.50
Rot. Bonds7

About 4-[1-(4-chloropyrazol-1-yl)propan-2-yl]-2-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one

4-[1-(4-chloropyrazol-1-yl)propan-2-yl]-2-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136858821) has the molecular formula C18H21ClN6O and a molecular weight of 372.86 g/mol. Its IUPAC name is 4-[1-(4-chloropyrazol-1-yl)propan-2-yl]-2-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(4-chloropyrazol-1-yl)propan-2-yl]-2-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one
PubChem CID136858821
Molecular FormulaC18H21ClN6O
Molecular Weight372.86 g/mol
Exact Mass372.15
IUPAC Name4-[1-(4-chloropyrazol-1-yl)propan-2-yl]-2-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one
SMILESCC(Cn1cc(Cl)cn1)c1cc(=O)[nH]c(N(C)CCc2ccccn2)n1
InChIInChI=1S/C18H21ClN6O/c1-13(11-25-12-14(19)10-21-25)16-9-17(26)23-18(22-16)24(2)8-6-15-5-3-4-7-20-15/h3-5,7,9-10,12-13H,6,8,11H2,1-2H3,(H,22,23,26)
InChIKeyLAVMHJPUSFMFNT-UHFFFAOYSA-N
XLogP2.50
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(4-chloropyrazol-1-yl)propan-2-yl]-2-(2-pyridin-2-ylethylamino)-1H-pyrimidin-6-one
CID 136858816
4-[(2S)-1-(4-chloropyrazol-1-yl)propan-2-yl]-2-(2-pyridin-2-ylethylamino)-1H-pyrimidin-6-one
CID 136891565
4-[(2R)-1-(4-chloropyrazol-1-yl)propan-2-yl]-2-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one
CID 136891550
4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one
CID 137015587
5-chloro-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 80766045
2-(aminomethyl)-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 62492965
N-[(3,5-dichloro-2-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 75517351
6-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyridin-3-amine
CID 83122719
5-chloro-2-hydrazinyl-N-methyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 80932166
2-[[amino-(3-methylbutylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 111095936
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
1-(2-pyridin-2-ylethyl)pyridin-2-one
CID 116618481

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chloropyrazol-1-yl)propan-2-yl]-2-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(4-chloropyrazol-1-yl)propan-2-yl]-2-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one (CID 136858821) is 4-[1-(4-chloropyrazol-1-yl)propan-2-yl]-2-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(4-chloropyrazol-1-yl)propan-2-yl]-2-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(4-chloropyrazol-1-yl)propan-2-yl]-2-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one is CC(Cn1cc(Cl)cn1)c1cc(=O)[nH]c(N(C)CCc2ccccn2)n1.
What is the InChIKey of 4-[1-(4-chloropyrazol-1-yl)propan-2-yl]-2-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is LAVMHJPUSFMFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN6O/c1-13(11-25-12-14(19)10-21-25)16-9-17(26)23-18(22-16)24(2)8-6-15-5-3-4-7-20-15/h3-5,7,9-10,12-13H,6,8,11H2,1-2H3,(H,22,23,26).
What are the key properties of 4-[1-(4-chloropyrazol-1-yl)propan-2-yl]-2-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one?
4-[1-(4-chloropyrazol-1-yl)propan-2-yl]-2-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 372.86 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chloropyrazol-1-yl)propan-2-yl]-2-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136858821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).