5,7-diamino-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile

C15H15N7S — CID 91971371

IUPAC5,7-diamino-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCC(C)(C)c1nc(-c2nccs2)c2c(N)c(C#N)c(N)nc2n1
InChIInChI=1S/C15H15N7S/c1-15(2,3)14-20-10(13-19-4-5-23-13)8-9(17)7(6-16)11(18)21-12(8)22-14/h4-5H,1-3H3,(H4,17,18,20,21,22)
InChIKeyVDKRFQKJPXSMOG-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.48
Rot. Bonds1

About 5,7-diamino-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile

5,7-diamino-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 91971371) has the molecular formula C15H15N7S and a molecular weight of 325.40 g/mol. Its IUPAC name is 5,7-diamino-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name5,7-diamino-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID91971371
Molecular FormulaC15H15N7S
Molecular Weight325.40 g/mol
Exact Mass325.11
IUPAC Name5,7-diamino-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCC(C)(C)c1nc(-c2nccs2)c2c(N)c(C#N)c(N)nc2n1
InChIInChI=1S/C15H15N7S/c1-15(2,3)14-20-10(13-19-4-5-23-13)8-9(17)7(6-16)11(18)21-12(8)22-14/h4-5H,1-3H3,(H4,17,18,20,21,22)
InChIKeyVDKRFQKJPXSMOG-UHFFFAOYSA-N
XLogP2.48
TPSA127.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5,7-diamino-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,7-diamino-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 5,7-diamino-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile (CID 91971371) is 5,7-diamino-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 5,7-diamino-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 5,7-diamino-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile is CC(C)(C)c1nc(-c2nccs2)c2c(N)c(C#N)c(N)nc2n1.
What is the InChIKey of 5,7-diamino-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is VDKRFQKJPXSMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7S/c1-15(2,3)14-20-10(13-19-4-5-23-13)8-9(17)7(6-16)11(18)21-12(8)22-14/h4-5H,1-3H3,(H4,17,18,20,21,22).
What are the key properties of 5,7-diamino-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile?
5,7-diamino-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 325.40 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diamino-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 91971371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).