5-(1-chloroethenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine

C18H16ClN5 — CID 50943216

IUPAC5-(1-chloroethenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine
SMILESC=C(Cl)c1cnc(-c2ccccc2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C18H16ClN5/c1-11(19)14-10-20-17(13-5-3-2-4-6-13)22-18(14)21-16-9-15(23-24-16)12-7-8-12/h2-6,9-10,12H,1,7-8H2,(H2,20,21,22,23,24)
InChIKeyOJXVBCIAHNVTEW-UHFFFAOYSA-N
MW337.81 g/mol
LogP4.70
Rot. Bonds5

About 5-(1-chloroethenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine

5-(1-chloroethenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine (PubChem CID 50943216) has the molecular formula C18H16ClN5 and a molecular weight of 337.81 g/mol. Its IUPAC name is 5-(1-chloroethenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(1-chloroethenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine
PubChem CID50943216
Molecular FormulaC18H16ClN5
Molecular Weight337.81 g/mol
Exact Mass337.11
IUPAC Name5-(1-chloroethenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine
SMILESC=C(Cl)c1cnc(-c2ccccc2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C18H16ClN5/c1-11(19)14-10-20-17(13-5-3-2-4-6-13)22-18(14)21-16-9-15(23-24-16)12-7-8-12/h2-6,9-10,12H,1,7-8H2,(H2,20,21,22,23,24)
InChIKeyOJXVBCIAHNVTEW-UHFFFAOYSA-N
XLogP4.70
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine?
The IUPAC name of 5-(1-chloroethenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine (CID 50943216) is 5-(1-chloroethenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-(1-chloroethenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for 5-(1-chloroethenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine is C=C(Cl)c1cnc(-c2ccccc2)nc1Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-(1-chloroethenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine?
The InChIKey is OJXVBCIAHNVTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5/c1-11(19)14-10-20-17(13-5-3-2-4-6-13)22-18(14)21-16-9-15(23-24-16)12-7-8-12/h2-6,9-10,12H,1,7-8H2,(H2,20,21,22,23,24).
What are the key properties of 5-(1-chloroethenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine?
5-(1-chloroethenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine has a molecular weight of 337.81 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 50943216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).