6-(1-methylpyrazol-4-yl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine

C13H13N5S — CID 106716040

IUPAC6-(1-methylpyrazol-4-yl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)cc(-c3cnn(C)c3)n2)s1
InChIInChI=1S/C13H13N5S/c1-8-3-4-11(19-8)13-16-10(5-12(14)17-13)9-6-15-18(2)7-9/h3-7H,1-2H3,(H2,14,16,17)
InChIKeyDHSBEHIQZTVVPK-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.50
Rot. Bonds2

About 6-(1-methylpyrazol-4-yl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine

6-(1-methylpyrazol-4-yl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine (PubChem CID 106716040) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
PubChem CID106716040
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name6-(1-methylpyrazol-4-yl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)cc(-c3cnn(C)c3)n2)s1
InChIInChI=1S/C13H13N5S/c1-8-3-4-11(19-8)13-16-10(5-12(14)17-13)9-6-15-18(2)7-9/h3-7H,1-2H3,(H2,14,16,17)
InChIKeyDHSBEHIQZTVVPK-UHFFFAOYSA-N
XLogP2.50
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine (CID 106716040) is 6-(1-methylpyrazol-4-yl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine is Cc1ccc(-c2nc(N)cc(-c3cnn(C)c3)n2)s1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine?
The InChIKey is DHSBEHIQZTVVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-8-3-4-11(19-8)13-16-10(5-12(14)17-13)9-6-15-18(2)7-9/h3-7H,1-2H3,(H2,14,16,17).
What are the key properties of 6-(1-methylpyrazol-4-yl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine?
6-(1-methylpyrazol-4-yl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine has a molecular weight of 271.35 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 106716040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).