6-bromo-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine

C9H9BrN4 — CID 86697012

IUPAC6-bromo-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine
SMILESCNc1ncc2cc(Br)c(C)nc2n1
InChIInChI=1S/C9H9BrN4/c1-5-7(10)3-6-4-12-9(11-2)14-8(6)13-5/h3-4H,1-2H3,(H,11,12,13,14)
InChIKeyVXIPPNFZDKMJAD-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.14
Rot. Bonds1

About 6-bromo-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine

6-bromo-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine (PubChem CID 86697012) has the molecular formula C9H9BrN4 and a molecular weight of 253.10 g/mol. Its IUPAC name is 6-bromo-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-bromo-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine
PubChem CID86697012
Molecular FormulaC9H9BrN4
Molecular Weight253.10 g/mol
Exact Mass252.00
IUPAC Name6-bromo-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine
SMILESCNc1ncc2cc(Br)c(C)nc2n1
InChIInChI=1S/C9H9BrN4/c1-5-7(10)3-6-4-12-9(11-2)14-8(6)13-5/h3-4H,1-2H3,(H,11,12,13,14)
InChIKeyVXIPPNFZDKMJAD-UHFFFAOYSA-N
XLogP2.14
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of 6-bromo-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine (CID 86697012) is 6-bromo-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-bromo-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-bromo-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine is CNc1ncc2cc(Br)c(C)nc2n1.
What is the InChIKey of 6-bromo-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is VXIPPNFZDKMJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4/c1-5-7(10)3-6-4-12-9(11-2)14-8(6)13-5/h3-4H,1-2H3,(H,11,12,13,14).
What are the key properties of 6-bromo-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine?
6-bromo-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 253.10 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 86697012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).