2-chloro-N-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidin-4-amine

C11H9ClN6 — CID 58398933

IUPAC2-chloro-N-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidin-4-amine
SMILESCn1cnc(Nc2nc(Cl)nc3cnccc23)c1
InChIInChI=1S/C11H9ClN6/c1-18-5-9(14-6-18)16-10-7-2-3-13-4-8(7)15-11(12)17-10/h2-6H,1H3,(H,15,16,17)
InChIKeyXRGKQQDDRKYUHA-UHFFFAOYSA-N
MW260.69 g/mol
LogP2.16
Rot. Bonds2

About 2-chloro-N-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidin-4-amine

2-chloro-N-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 58398933) has the molecular formula C11H9ClN6 and a molecular weight of 260.69 g/mol. Its IUPAC name is 2-chloro-N-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidin-4-amine
PubChem CID58398933
Molecular FormulaC11H9ClN6
Molecular Weight260.69 g/mol
Exact Mass260.06
IUPAC Name2-chloro-N-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidin-4-amine
SMILESCn1cnc(Nc2nc(Cl)nc3cnccc23)c1
InChIInChI=1S/C11H9ClN6/c1-18-5-9(14-6-18)16-10-7-2-3-13-4-8(7)15-11(12)17-10/h2-6H,1H3,(H,15,16,17)
InChIKeyXRGKQQDDRKYUHA-UHFFFAOYSA-N
XLogP2.16
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.69
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidin-4-amine (CID 58398933) is 2-chloro-N-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidin-4-amine is Cn1cnc(Nc2nc(Cl)nc3cnccc23)c1.
What is the InChIKey of 2-chloro-N-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is XRGKQQDDRKYUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6/c1-18-5-9(14-6-18)16-10-7-2-3-13-4-8(7)15-11(12)17-10/h2-6H,1H3,(H,15,16,17).
What are the key properties of 2-chloro-N-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidin-4-amine?
2-chloro-N-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 260.69 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 58398933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).