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

C18H19N5 — CID 90243458

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-ethylphenyl)pyrimidin-4-amine
SMILESCCc1cccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1
InChIInChI=1S/C18H19N5/c1-2-12-4-3-5-14(10-12)18-19-9-8-16(21-18)20-17-11-15(22-23-17)13-6-7-13/h3-5,8-11,13H,2,6-7H2,1H3,(H2,19,20,21,22,23)
InChIKeyOMOXGUOUDIZCIX-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.05
Rot. Bonds5

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

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-ethylphenyl)pyrimidin-4-amine (PubChem CID 90243458) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-ethylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-ethylphenyl)pyrimidin-4-amine
PubChem CID90243458
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-ethylphenyl)pyrimidin-4-amine
SMILESCCc1cccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1
InChIInChI=1S/C18H19N5/c1-2-12-4-3-5-14(10-12)18-19-9-8-16(21-18)20-17-11-15(22-23-17)13-6-7-13/h3-5,8-11,13H,2,6-7H2,1H3,(H2,19,20,21,22,23)
InChIKeyOMOXGUOUDIZCIX-UHFFFAOYSA-N
XLogP4.05
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-ethylphenyl)pyrimidin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-ethylphenyl)pyrimidin-4-amine (CID 90243458) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-ethylphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-ethylphenyl)pyrimidin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-ethylphenyl)pyrimidin-4-amine is CCc1cccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-ethylphenyl)pyrimidin-4-amine?
The InChIKey is OMOXGUOUDIZCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-2-12-4-3-5-14(10-12)18-19-9-8-16(21-18)20-17-11-15(22-23-17)13-6-7-13/h3-5,8-11,13H,2,6-7H2,1H3,(H2,19,20,21,22,23).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-ethylphenyl)pyrimidin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-ethylphenyl)pyrimidin-4-amine has a molecular weight of 305.38 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-ethylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 90243458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).