N-methyl-6-(1-methylpyrazol-4-yl)-2-(4-methylthiophen-3-yl)pyrimidin-4-amine

C14H15N5S — CID 106715813

IUPACN-methyl-6-(1-methylpyrazol-4-yl)-2-(4-methylthiophen-3-yl)pyrimidin-4-amine
SMILESCNc1cc(-c2cnn(C)c2)nc(-c2cscc2C)n1
InChIInChI=1S/C14H15N5S/c1-9-7-20-8-11(9)14-17-12(4-13(15-2)18-14)10-5-16-19(3)6-10/h4-8H,1-3H3,(H,15,17,18)
InChIKeyUDOBKLGUXCYGBP-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.96
Rot. Bonds3

About N-methyl-6-(1-methylpyrazol-4-yl)-2-(4-methylthiophen-3-yl)pyrimidin-4-amine

N-methyl-6-(1-methylpyrazol-4-yl)-2-(4-methylthiophen-3-yl)pyrimidin-4-amine (PubChem CID 106715813) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is N-methyl-6-(1-methylpyrazol-4-yl)-2-(4-methylthiophen-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(1-methylpyrazol-4-yl)-2-(4-methylthiophen-3-yl)pyrimidin-4-amine
PubChem CID106715813
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC NameN-methyl-6-(1-methylpyrazol-4-yl)-2-(4-methylthiophen-3-yl)pyrimidin-4-amine
SMILESCNc1cc(-c2cnn(C)c2)nc(-c2cscc2C)n1
InChIInChI=1S/C14H15N5S/c1-9-7-20-8-11(9)14-17-12(4-13(15-2)18-14)10-5-16-19(3)6-10/h4-8H,1-3H3,(H,15,17,18)
InChIKeyUDOBKLGUXCYGBP-UHFFFAOYSA-N
XLogP2.96
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-6-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)pyrimidin-4-amine
CID 106716022
N-methyl-6-(1-methylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine
CID 106716000
2-(2-chlorophenyl)-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715801
N-methyl-6-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
CID 106715777
[2-(2-methylfuran-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 106716181
N-methyl-6-(1-methylpyrazol-4-yl)-2-pentan-3-ylpyrimidin-4-amine
CID 106716024
[6-(1-methylpyrazol-4-yl)-2-pyridin-4-ylpyrimidin-4-yl]hydrazine
CID 106716187
[6-(1-methylpyrazol-4-yl)-2-(5-methyl-2-pyridinyl)pyrimidin-4-yl]hydrazine
CID 106716230
N-methyl-6-(1-methylpyrazol-4-yl)-2-(oxan-4-yl)pyrimidin-4-amine
CID 106715810
2-butyl-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715837
methyl 4-(methylamino)-6-(1-methylpyrazol-4-yl)pyrimidine-2-carboxylate
CID 106715741
6-ethyl-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 62201696

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(1-methylpyrazol-4-yl)-2-(4-methylthiophen-3-yl)pyrimidin-4-amine?
The IUPAC name of N-methyl-6-(1-methylpyrazol-4-yl)-2-(4-methylthiophen-3-yl)pyrimidin-4-amine (CID 106715813) is N-methyl-6-(1-methylpyrazol-4-yl)-2-(4-methylthiophen-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(1-methylpyrazol-4-yl)-2-(4-methylthiophen-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(1-methylpyrazol-4-yl)-2-(4-methylthiophen-3-yl)pyrimidin-4-amine is CNc1cc(-c2cnn(C)c2)nc(-c2cscc2C)n1.
What is the InChIKey of N-methyl-6-(1-methylpyrazol-4-yl)-2-(4-methylthiophen-3-yl)pyrimidin-4-amine?
The InChIKey is UDOBKLGUXCYGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-9-7-20-8-11(9)14-17-12(4-13(15-2)18-14)10-5-16-19(3)6-10/h4-8H,1-3H3,(H,15,17,18).
What are the key properties of N-methyl-6-(1-methylpyrazol-4-yl)-2-(4-methylthiophen-3-yl)pyrimidin-4-amine?
N-methyl-6-(1-methylpyrazol-4-yl)-2-(4-methylthiophen-3-yl)pyrimidin-4-amine has a molecular weight of 285.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(1-methylpyrazol-4-yl)-2-(4-methylthiophen-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 106715813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).