5,7-diamino-2-(2-methylpropyl)pyrido[2,3-d]pyrimidine-6-carbonitrile

C12H14N6 — CID 122194717

IUPAC5,7-diamino-2-(2-methylpropyl)pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCC(C)Cc1ncc2c(N)c(C#N)c(N)nc2n1
InChIInChI=1S/C12H14N6/c1-6(2)3-9-16-5-8-10(14)7(4-13)11(15)18-12(8)17-9/h5-6H,3H2,1-2H3,(H4,14,15,16,17,18)
InChIKeyNYVSDMSJYZSZSW-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.26
Rot. Bonds2

About 5,7-diamino-2-(2-methylpropyl)pyrido[2,3-d]pyrimidine-6-carbonitrile

5,7-diamino-2-(2-methylpropyl)pyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 122194717) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 5,7-diamino-2-(2-methylpropyl)pyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name5,7-diamino-2-(2-methylpropyl)pyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID122194717
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name5,7-diamino-2-(2-methylpropyl)pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCC(C)Cc1ncc2c(N)c(C#N)c(N)nc2n1
InChIInChI=1S/C12H14N6/c1-6(2)3-9-16-5-8-10(14)7(4-13)11(15)18-12(8)17-9/h5-6H,3H2,1-2H3,(H4,14,15,16,17,18)
InChIKeyNYVSDMSJYZSZSW-UHFFFAOYSA-N
XLogP1.26
TPSA114.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-diamino-2-(2-methylpropyl)pyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 5,7-diamino-2-(2-methylpropyl)pyrido[2,3-d]pyrimidine-6-carbonitrile (CID 122194717) is 5,7-diamino-2-(2-methylpropyl)pyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 5,7-diamino-2-(2-methylpropyl)pyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 5,7-diamino-2-(2-methylpropyl)pyrido[2,3-d]pyrimidine-6-carbonitrile is CC(C)Cc1ncc2c(N)c(C#N)c(N)nc2n1.
What is the InChIKey of 5,7-diamino-2-(2-methylpropyl)pyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is NYVSDMSJYZSZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-6(2)3-9-16-5-8-10(14)7(4-13)11(15)18-12(8)17-9/h5-6H,3H2,1-2H3,(H4,14,15,16,17,18).
What are the key properties of 5,7-diamino-2-(2-methylpropyl)pyrido[2,3-d]pyrimidine-6-carbonitrile?
5,7-diamino-2-(2-methylpropyl)pyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 242.29 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diamino-2-(2-methylpropyl)pyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 122194717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).