2-amino-4-chloro-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C8H9ClN4O — CID 130013756

IUPAC2-amino-4-chloro-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC1Cc2c(Cl)nc(N)nc2NC1=O
InChIInChI=1S/C8H9ClN4O/c1-3-2-4-5(9)11-8(10)13-6(4)12-7(3)14/h3H,2H2,1H3,(H3,10,11,12,13,14)
InChIKeyPVLBHYSTGJSNTF-UHFFFAOYSA-N
MW212.64 g/mol
LogP0.84
Rot. Bonds

About 2-amino-4-chloro-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

2-amino-4-chloro-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 130013756) has the molecular formula C8H9ClN4O and a molecular weight of 212.64 g/mol. Its IUPAC name is 2-amino-4-chloro-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-4-chloro-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID130013756
Molecular FormulaC8H9ClN4O
Molecular Weight212.64 g/mol
Exact Mass212.05
IUPAC Name2-amino-4-chloro-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC1Cc2c(Cl)nc(N)nc2NC1=O
InChIInChI=1S/C8H9ClN4O/c1-3-2-4-5(9)11-8(10)13-6(4)12-7(3)14/h3H,2H2,1H3,(H3,10,11,12,13,14)
InChIKeyPVLBHYSTGJSNTF-UHFFFAOYSA-N
XLogP0.84
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-4-chloro-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 130013756) is 2-amino-4-chloro-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-4-chloro-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-4-chloro-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is CC1Cc2c(Cl)nc(N)nc2NC1=O.
What is the InChIKey of 2-amino-4-chloro-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is PVLBHYSTGJSNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O/c1-3-2-4-5(9)11-8(10)13-6(4)12-7(3)14/h3H,2H2,1H3,(H3,10,11,12,13,14).
What are the key properties of 2-amino-4-chloro-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
2-amino-4-chloro-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 212.64 g/mol, XLogP of 0.84, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-6-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 130013756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).