4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine

C15H17N5S — CID 46991055

IUPAC4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
SMILESCc1nn(C)cc1-c1ccnc(N(C)Cc2cccs2)n1
InChIInChI=1S/C15H17N5S/c1-11-13(10-20(3)18-11)14-6-7-16-15(17-14)19(2)9-12-5-4-8-21-12/h4-8,10H,9H2,1-3H3
InChIKeyFRNVNPGDFCPINC-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.88
Rot. Bonds4

About 4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine

4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine (PubChem CID 46991055) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
PubChem CID46991055
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
SMILESCc1nn(C)cc1-c1ccnc(N(C)Cc2cccs2)n1
InChIInChI=1S/C15H17N5S/c1-11-13(10-20(3)18-11)14-6-7-16-15(17-14)19(2)9-12-5-4-8-21-12/h4-8,10H,9H2,1-3H3
InChIKeyFRNVNPGDFCPINC-UHFFFAOYSA-N
XLogP2.88
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329467
4-Chloranyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine
CID 164616101
7-(Thiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 900945
2,3-Dimethyl-6-thiophen-2-ylimidazo[1,2-b][1,2,4]triazine
CID 615484
2-(4-Methyl-1-piperazinyl)-4-(3-thienyl)pyrimidine
CID 10753846
N-methyl-N-[4-(2-thienyl)-2-pyrimidinyl]cyanamide
CID 1478182
N-cyclopropyl-4-(6-(thiophen-2-yl)pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
CID 10286648
N-(3-methylphenyl)-4-thiophen-2-ylpyrimidin-2-amine
CID 14347006
5-(Piperidin-3-yl)-3-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224365
Alk-5-IN-1
CID 24880914
5-Imidazol-1-ylmethyl-2-thiophen-2-yl-pyridine
CID 57329792
3-Imidazol-1-ylmethyl-2-thiophen-2-yl-pyridine
CID 57329793

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine (CID 46991055) is 4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine is Cc1nn(C)cc1-c1ccnc(N(C)Cc2cccs2)n1.
What is the InChIKey of 4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is FRNVNPGDFCPINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-11-13(10-20(3)18-11)14-6-7-16-15(17-14)19(2)9-12-5-4-8-21-12/h4-8,10H,9H2,1-3H3.
What are the key properties of 4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 299.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 46991055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).