5,7-dimethyl-6-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride

C14H16ClN5S — CID 44531531

IUPAC5,7-dimethyl-6-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
SMILESCc1nc2nc(N)nc(N)c2c(C)c1Cc1cccs1.Cl
InChIInChI=1S/C14H15N5S.ClH/c1-7-10(6-9-4-3-5-20-9)8(2)17-13-11(7)12(15)18-14(16)19-13;/h3-5H,6H2,1-2H3,(H4,15,16,17,18,19);1H
InChIKeyHZTOKXLWJPRBPA-UHFFFAOYSA-N
MW321.84 g/mol
LogP2.88
Rot. Bonds2

About 5,7-dimethyl-6-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride

5,7-dimethyl-6-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride (PubChem CID 44531531) has the molecular formula C14H16ClN5S and a molecular weight of 321.84 g/mol. Its IUPAC name is 5,7-dimethyl-6-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name5,7-dimethyl-6-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
PubChem CID44531531
Molecular FormulaC14H16ClN5S
Molecular Weight321.84 g/mol
Exact Mass321.08
IUPAC Name5,7-dimethyl-6-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
SMILESCc1nc2nc(N)nc(N)c2c(C)c1Cc1cccs1.Cl
InChIInChI=1S/C14H15N5S.ClH/c1-7-10(6-9-4-3-5-20-9)8(2)17-13-11(7)12(15)18-14(16)19-13;/h3-5H,6H2,1-2H3,(H4,15,16,17,18,19);1H
InChIKeyHZTOKXLWJPRBPA-UHFFFAOYSA-N
XLogP2.88
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.84
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
The IUPAC name of 5,7-dimethyl-6-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride (CID 44531531) is 5,7-dimethyl-6-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 5,7-dimethyl-6-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 5,7-dimethyl-6-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride is Cc1nc2nc(N)nc(N)c2c(C)c1Cc1cccs1.Cl.
What is the InChIKey of 5,7-dimethyl-6-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
The InChIKey is HZTOKXLWJPRBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S.ClH/c1-7-10(6-9-4-3-5-20-9)8(2)17-13-11(7)12(15)18-14(16)19-13;/h3-5H,6H2,1-2H3,(H4,15,16,17,18,19);1H.
What are the key properties of 5,7-dimethyl-6-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
5,7-dimethyl-6-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride has a molecular weight of 321.84 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-6-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride is sourced from PubChem (CID 44531531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).