1-[4-(3-methylphenyl)pyrimidin-2-yl]cyclopropan-1-amine

C14H15N3 — CID 116903584

IUPAC1-[4-(3-methylphenyl)pyrimidin-2-yl]cyclopropan-1-amine
SMILESCc1cccc(-c2ccnc(C3(N)CC3)n2)c1
InChIInChI=1S/C14H15N3/c1-10-3-2-4-11(9-10)12-5-8-16-13(17-12)14(15)6-7-14/h2-5,8-9H,6-7,15H2,1H3
InChIKeyIUBZFFCEHZPXIM-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.40
Rot. Bonds2

About 1-[4-(3-methylphenyl)pyrimidin-2-yl]cyclopropan-1-amine

1-[4-(3-methylphenyl)pyrimidin-2-yl]cyclopropan-1-amine (PubChem CID 116903584) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 1-[4-(3-methylphenyl)pyrimidin-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[4-(3-methylphenyl)pyrimidin-2-yl]cyclopropan-1-amine
PubChem CID116903584
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name1-[4-(3-methylphenyl)pyrimidin-2-yl]cyclopropan-1-amine
SMILESCc1cccc(-c2ccnc(C3(N)CC3)n2)c1
InChIInChI=1S/C14H15N3/c1-10-3-2-4-11(9-10)12-5-8-16-13(17-12)14(15)6-7-14/h2-5,8-9H,6-7,15H2,1H3
InChIKeyIUBZFFCEHZPXIM-UHFFFAOYSA-N
XLogP2.40
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylphenyl)pyrimidin-2-yl]cyclopropan-1-amine?
The IUPAC name of 1-[4-(3-methylphenyl)pyrimidin-2-yl]cyclopropan-1-amine (CID 116903584) is 1-[4-(3-methylphenyl)pyrimidin-2-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[4-(3-methylphenyl)pyrimidin-2-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[4-(3-methylphenyl)pyrimidin-2-yl]cyclopropan-1-amine is Cc1cccc(-c2ccnc(C3(N)CC3)n2)c1.
What is the InChIKey of 1-[4-(3-methylphenyl)pyrimidin-2-yl]cyclopropan-1-amine?
The InChIKey is IUBZFFCEHZPXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-10-3-2-4-11(9-10)12-5-8-16-13(17-12)14(15)6-7-14/h2-5,8-9H,6-7,15H2,1H3.
What are the key properties of 1-[4-(3-methylphenyl)pyrimidin-2-yl]cyclopropan-1-amine?
1-[4-(3-methylphenyl)pyrimidin-2-yl]cyclopropan-1-amine has a molecular weight of 225.30 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylphenyl)pyrimidin-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 116903584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).