6-chloro-2,7-dimethylpyrido[3,2-d]pyrimidin-4-amine

C9H9ClN4 — CID 155340641

IUPAC6-chloro-2,7-dimethylpyrido[3,2-d]pyrimidin-4-amine
SMILESCc1nc(N)c2nc(Cl)c(C)cc2n1
InChIInChI=1S/C9H9ClN4/c1-4-3-6-7(14-8(4)10)9(11)13-5(2)12-6/h3H,1-2H3,(H2,11,12,13)
InChIKeyXLJIOIMSZVABAI-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.88
Rot. Bonds

About 6-chloro-2,7-dimethylpyrido[3,2-d]pyrimidin-4-amine

6-chloro-2,7-dimethylpyrido[3,2-d]pyrimidin-4-amine (PubChem CID 155340641) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 6-chloro-2,7-dimethylpyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2,7-dimethylpyrido[3,2-d]pyrimidin-4-amine
PubChem CID155340641
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name6-chloro-2,7-dimethylpyrido[3,2-d]pyrimidin-4-amine
SMILESCc1nc(N)c2nc(Cl)c(C)cc2n1
InChIInChI=1S/C9H9ClN4/c1-4-3-6-7(14-8(4)10)9(11)13-5(2)12-6/h3H,1-2H3,(H2,11,12,13)
InChIKeyXLJIOIMSZVABAI-UHFFFAOYSA-N
XLogP1.88
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-3,5-dimethylpyridin-2-amine
CID 90874418
6,7-dichloro-2-methylquinazolin-4-amine
CID 122198309
4-amino-6-chloro-2-methylpyrimidine-5-thiol
CID 22244049
2,7-dimethylquinazolin-4-amine
CID 59095817
4-chloro-2-methylquinazolin-6-amine
CID 124908084
2-chloro-3,5,6,7-tetramethylquinoline
CID 146013311
2-chloro-6,7-dimethylquinolin-3-amine
CID 114553740
2,7,8-trichloro-3-methylquinoline
CID 63232184
2,7-dimethylthieno[3,2-d]pyrimidin-4-amine;dihydrochloride
CID 175863226
5-chloro-6-methyl-[1,3]thiazolo[5,4-b]pyridine
CID 154727392
(3-chloro-7-methoxy-5-methylquinoxalin-2-yl)hydrazine
CID 142746256
2,3,5,7-tetrachloropyrido[3,4-b]pyrazine
CID 121232247

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,7-dimethylpyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2,7-dimethylpyrido[3,2-d]pyrimidin-4-amine (CID 155340641) is 6-chloro-2,7-dimethylpyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2,7-dimethylpyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2,7-dimethylpyrido[3,2-d]pyrimidin-4-amine is Cc1nc(N)c2nc(Cl)c(C)cc2n1.
What is the InChIKey of 6-chloro-2,7-dimethylpyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is XLJIOIMSZVABAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c1-4-3-6-7(14-8(4)10)9(11)13-5(2)12-6/h3H,1-2H3,(H2,11,12,13).
What are the key properties of 6-chloro-2,7-dimethylpyrido[3,2-d]pyrimidin-4-amine?
6-chloro-2,7-dimethylpyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 208.65 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,7-dimethylpyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 155340641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).