4-methyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine

C14H15N5S — CID 164614874

IUPAC4-methyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine
SMILESCc1cc(-c2nn(C)cc2Cc2cccs2)nc(N)n1
InChIInChI=1S/C14H15N5S/c1-9-6-12(17-14(15)16-9)13-10(8-19(2)18-13)7-11-4-3-5-20-11/h3-6,8H,7H2,1-2H3,(H2,15,16,17)
InChIKeyLWLXLTBEEMFFDV-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.42
Rot. Bonds3

About 4-methyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine

4-methyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine (PubChem CID 164614874) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is 4-methyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine
PubChem CID164614874
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC Name4-methyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine
SMILESCc1cc(-c2nn(C)cc2Cc2cccs2)nc(N)n1
InChIInChI=1S/C14H15N5S/c1-9-6-12(17-14(15)16-9)13-10(8-19(2)18-13)7-11-4-3-5-20-11/h3-6,8H,7H2,1-2H3,(H2,15,16,17)
InChIKeyLWLXLTBEEMFFDV-UHFFFAOYSA-N
XLogP2.42
TPSA69.62 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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-yl)imidazo[1,2-b][1,2,4]triazine
CID 615484
2-(4-Methylpiperazin-1-yl)-4-thiophen-2-yl-6-thiophen-3-ylpyrimidine
CID 10712354
2-(4-Methyl-1-piperazinyl)-4-(3-thienyl)pyrimidine
CID 10753846
N-cyclopropyl-4-(6-(thiophen-2-yl)pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
CID 10286648
3-(4-Fluoro-benzyl)-6-th iophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 11771327
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
1-(2-Fluorobenzyl)-4-(2-thienyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine
CID 22015493
Alk-5-IN-1
CID 24880914
3-(1-Benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 52948010

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine (CID 164614874) is 4-methyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine is Cc1cc(-c2nn(C)cc2Cc2cccs2)nc(N)n1.
What is the InChIKey of 4-methyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine?
The InChIKey is LWLXLTBEEMFFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-9-6-12(17-14(15)16-9)13-10(8-19(2)18-13)7-11-4-3-5-20-11/h3-6,8H,7H2,1-2H3,(H2,15,16,17).
What are the key properties of 4-methyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine?
4-methyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine has a molecular weight of 285.38 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 164614874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).