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

C14H13N5S — CID 50943289

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine
SMILESc1csc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1
InChIInChI=1S/C14H13N5S/c1-2-11(20-7-1)14-15-6-5-12(17-14)16-13-8-10(18-19-13)9-3-4-9/h1-2,5-9H,3-4H2,(H2,15,16,17,18,19)
InChIKeyPULQQPFGTMNKRQ-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.55
Rot. Bonds4

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

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine (PubChem CID 50943289) has the molecular formula C14H13N5S and a molecular weight of 283.36 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine
PubChem CID50943289
Molecular FormulaC14H13N5S
Molecular Weight283.36 g/mol
Exact Mass283.09
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine
SMILESc1csc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1
InChIInChI=1S/C14H13N5S/c1-2-11(20-7-1)14-15-6-5-12(17-14)16-13-8-10(18-19-13)9-3-4-9/h1-2,5-9H,3-4H2,(H2,15,16,17,18,19)
InChIKeyPULQQPFGTMNKRQ-UHFFFAOYSA-N
XLogP3.55
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.55
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)-2-thiophen-2-ylpyrimidin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine (CID 50943289) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine is c1csc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine?
The InChIKey is PULQQPFGTMNKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5S/c1-2-11(20-7-1)14-15-6-5-12(17-14)16-13-8-10(18-19-13)9-3-4-9/h1-2,5-9H,3-4H2,(H2,15,16,17,18,19).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-2-ylpyrimidin-4-amine has a molecular weight of 283.36 g/mol, XLogP of 3.55, 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)-2-thiophen-2-ylpyrimidin-4-amine is sourced from PubChem (CID 50943289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).