N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine

C15H15N5S — CID 50943375

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine
SMILESCc1cnc(-c2cccs2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C15H15N5S/c1-9-8-16-15(12-3-2-6-21-12)18-14(9)17-13-7-11(19-20-13)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H2,16,17,18,19,20)
InChIKeyGLNKRLCTIAJRDW-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.86
Rot. Bonds4

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine (PubChem CID 50943375) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine
PubChem CID50943375
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine
SMILESCc1cnc(-c2cccs2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C15H15N5S/c1-9-8-16-15(12-3-2-6-21-12)18-14(9)17-13-7-11(19-20-13)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H2,16,17,18,19,20)
InChIKeyGLNKRLCTIAJRDW-UHFFFAOYSA-N
XLogP3.86
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine (CID 50943375) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine is Cc1cnc(-c2cccs2)nc1Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine?
The InChIKey is GLNKRLCTIAJRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c1-9-8-16-15(12-3-2-6-21-12)18-14(9)17-13-7-11(19-20-13)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H2,16,17,18,19,20).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine has a molecular weight of 297.39 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine is sourced from PubChem (CID 50943375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).