5-chloro-4-(pyridin-3-ylmethylamino)-1H-pyrimidin-6-one

C10H9ClN4O — CID 136973831

IUPAC5-chloro-4-(pyridin-3-ylmethylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCc2cccnc2)c1Cl
InChIInChI=1S/C10H9ClN4O/c11-8-9(14-6-15-10(8)16)13-5-7-2-1-3-12-4-7/h1-4,6H,5H2,(H2,13,14,15,16)
InChIKeyAXPKSBXCBWYSIW-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.43
Rot. Bonds3

About 5-chloro-4-(pyridin-3-ylmethylamino)-1H-pyrimidin-6-one

5-chloro-4-(pyridin-3-ylmethylamino)-1H-pyrimidin-6-one (PubChem CID 136973831) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 5-chloro-4-(pyridin-3-ylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(pyridin-3-ylmethylamino)-1H-pyrimidin-6-one
PubChem CID136973831
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name5-chloro-4-(pyridin-3-ylmethylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCc2cccnc2)c1Cl
InChIInChI=1S/C10H9ClN4O/c11-8-9(14-6-15-10(8)16)13-5-7-2-1-3-12-4-7/h1-4,6H,5H2,(H2,13,14,15,16)
InChIKeyAXPKSBXCBWYSIW-UHFFFAOYSA-N
XLogP1.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 136975684
5-chloro-4-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 137016144
6-(pyridin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410705
5-chloro-4-[(5-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136975243
5-chloro-4-(3-chloropropylamino)-1H-pyrimidin-6-one
CID 136971845
4-[(3-bromothiophen-2-yl)methylamino]-5-chloro-1H-pyrimidin-6-one
CID 136976452
3-fluoro-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 62733975
4-[3-aminopropyl(pyridin-3-ylmethyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136972455
N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 29039345
5-bromo-2-chloro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 87529176
2,6-dichloro-N-(pyridin-3-ylmethyl)aniline
CID 913968
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(pyridin-3-ylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(pyridin-3-ylmethylamino)-1H-pyrimidin-6-one (CID 136973831) is 5-chloro-4-(pyridin-3-ylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(pyridin-3-ylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(pyridin-3-ylmethylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NCc2cccnc2)c1Cl.
What is the InChIKey of 5-chloro-4-(pyridin-3-ylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is AXPKSBXCBWYSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c11-8-9(14-6-15-10(8)16)13-5-7-2-1-3-12-4-7/h1-4,6H,5H2,(H2,13,14,15,16).
What are the key properties of 5-chloro-4-(pyridin-3-ylmethylamino)-1H-pyrimidin-6-one?
5-chloro-4-(pyridin-3-ylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 236.66 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(pyridin-3-ylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).