2-amino-6-[(4-chloro-1H-pyrazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C11H13ClN6O — CID 135862077

IUPAC2-amino-6-[(4-chloro-1H-pyrazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESNc1nc2c(c(=O)[nH]1)CN(Cc1[nH]ncc1Cl)CC2
InChIInChI=1S/C11H13ClN6O/c12-7-3-14-17-9(7)5-18-2-1-8-6(4-18)10(19)16-11(13)15-8/h3H,1-2,4-5H2,(H,14,17)(H3,13,15,16,19)
InChIKeySYSYKXSZIBWJIZ-UHFFFAOYSA-N
MW280.72 g/mol
LogP0.29
Rot. Bonds2

About 2-amino-6-[(4-chloro-1H-pyrazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-amino-6-[(4-chloro-1H-pyrazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135862077) has the molecular formula C11H13ClN6O and a molecular weight of 280.72 g/mol. Its IUPAC name is 2-amino-6-[(4-chloro-1H-pyrazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[(4-chloro-1H-pyrazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135862077
Molecular FormulaC11H13ClN6O
Molecular Weight280.72 g/mol
Exact Mass280.08
IUPAC Name2-amino-6-[(4-chloro-1H-pyrazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESNc1nc2c(c(=O)[nH]1)CN(Cc1[nH]ncc1Cl)CC2
InChIInChI=1S/C11H13ClN6O/c12-7-3-14-17-9(7)5-18-2-1-8-6(4-18)10(19)16-11(13)15-8/h3H,1-2,4-5H2,(H,14,17)(H3,13,15,16,19)
InChIKeySYSYKXSZIBWJIZ-UHFFFAOYSA-N
XLogP0.29
TPSA103.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(4-chloro-1H-pyrazol-3-yl)carbonyl]-2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136183976
6-[(4-chloro-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862074
6-[(4-chloro-1H-pyrazol-5-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 24907702
6-[(4-Chloro-1-methylpyrazol-3-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862051
6-[(4-Chloro-1-methylpyrazol-3-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862052
2-Amino-6-[(4-chloro-1-methylpyrazol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862057
6-[(4-Chloro-1-methylpyrazol-3-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862060
6-[(4-chloro-1H-pyrazol-5-yl)methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862070
6-[(4-chloro-1H-pyrazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862071
6-[(4-chloro-1H-pyrazol-5-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862072
2-tert-butyl-6-[(4-chloro-1H-pyrazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862073
6-[(4-chloro-1H-pyrazol-5-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862076

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(4-chloro-1H-pyrazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-[(4-chloro-1H-pyrazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135862077) is 2-amino-6-[(4-chloro-1H-pyrazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[(4-chloro-1H-pyrazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-[(4-chloro-1H-pyrazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Nc1nc2c(c(=O)[nH]1)CN(Cc1[nH]ncc1Cl)CC2.
What is the InChIKey of 2-amino-6-[(4-chloro-1H-pyrazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is SYSYKXSZIBWJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6O/c12-7-3-14-17-9(7)5-18-2-1-8-6(4-18)10(19)16-11(13)15-8/h3H,1-2,4-5H2,(H,14,17)(H3,13,15,16,19).
What are the key properties of 2-amino-6-[(4-chloro-1H-pyrazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-amino-6-[(4-chloro-1H-pyrazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 280.72 g/mol, XLogP of 0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(4-chloro-1H-pyrazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135862077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).