N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(5-methylthiophen-2-yl)pyrimidin-4-amine

C15H14FN5S — CID 70792469

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
SMILESCc1ccc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)s1
InChIInChI=1S/C15H14FN5S/c1-8-2-5-12(22-8)15-17-7-10(16)14(19-15)18-13-6-11(20-21-13)9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H2,17,18,19,20,21)
InChIKeyPMPZFYLRNZUWLD-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.00
Rot. Bonds4

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(5-methylthiophen-2-yl)pyrimidin-4-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(5-methylthiophen-2-yl)pyrimidin-4-amine (PubChem CID 70792469) has the molecular formula C15H14FN5S and a molecular weight of 315.38 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(5-methylthiophen-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
PubChem CID70792469
Molecular FormulaC15H14FN5S
Molecular Weight315.38 g/mol
Exact Mass315.10
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
SMILESCc1ccc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)s1
InChIInChI=1S/C15H14FN5S/c1-8-2-5-12(22-8)15-17-7-10(16)14(19-15)18-13-6-11(20-21-13)9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H2,17,18,19,20,21)
InChIKeyPMPZFYLRNZUWLD-UHFFFAOYSA-N
XLogP4.00
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.00
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-fluoro-2-(5-methylthiophen-2-yl)pyrimidin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(5-methylthiophen-2-yl)pyrimidin-4-amine (CID 70792469) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(5-methylthiophen-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(5-methylthiophen-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(5-methylthiophen-2-yl)pyrimidin-4-amine is Cc1ccc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)s1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(5-methylthiophen-2-yl)pyrimidin-4-amine?
The InChIKey is PMPZFYLRNZUWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5S/c1-8-2-5-12(22-8)15-17-7-10(16)14(19-15)18-13-6-11(20-21-13)9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H2,17,18,19,20,21).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(5-methylthiophen-2-yl)pyrimidin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(5-methylthiophen-2-yl)pyrimidin-4-amine has a molecular weight of 315.38 g/mol, XLogP of 4.00, 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-fluoro-2-(5-methylthiophen-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 70792469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).