4-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine

C13H14N6S — CID 86805500

IUPAC4-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCCc1nc(CNc2ncnc3nc(N)ccc23)cs1
InChIInChI=1S/C13H14N6S/c1-2-11-18-8(6-20-11)5-15-12-9-3-4-10(14)19-13(9)17-7-16-12/h3-4,6-7H,2,5H2,1H3,(H3,14,15,16,17,19)
InChIKeyPBWSPCGNTNHRTA-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.24
Rot. Bonds4

About 4-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine

4-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine (PubChem CID 86805500) has the molecular formula C13H14N6S and a molecular weight of 286.36 g/mol. Its IUPAC name is 4-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
PubChem CID86805500
Molecular FormulaC13H14N6S
Molecular Weight286.36 g/mol
Exact Mass286.10
IUPAC Name4-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCCc1nc(CNc2ncnc3nc(N)ccc23)cs1
InChIInChI=1S/C13H14N6S/c1-2-11-18-8(6-20-11)5-15-12-9-3-4-10(14)19-13(9)17-7-16-12/h3-4,6-7H,2,5H2,1H3,(H3,14,15,16,17,19)
InChIKeyPBWSPCGNTNHRTA-UHFFFAOYSA-N
XLogP2.24
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine (CID 86805500) is 4-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine is CCc1nc(CNc2ncnc3nc(N)ccc23)cs1.
What is the InChIKey of 4-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The InChIKey is PBWSPCGNTNHRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6S/c1-2-11-18-8(6-20-11)5-15-12-9-3-4-10(14)19-13(9)17-7-16-12/h3-4,6-7H,2,5H2,1H3,(H3,14,15,16,17,19).
What are the key properties of 4-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
4-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine has a molecular weight of 286.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 86805500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).