6-cyclopropyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine

C15H17N3 — CID 63354058

IUPAC6-cyclopropyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
SMILESCc1cccc(Cc2nc(N)cc(C3CC3)n2)c1
InChIInChI=1S/C15H17N3/c1-10-3-2-4-11(7-10)8-15-17-13(12-5-6-12)9-14(16)18-15/h2-4,7,9,12H,5-6,8H2,1H3,(H2,16,17,18)
InChIKeyFFZCGEKZPKIVDU-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.84
Rot. Bonds3

About 6-cyclopropyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine

6-cyclopropyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine (PubChem CID 63354058) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-cyclopropyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
PubChem CID63354058
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name6-cyclopropyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
SMILESCc1cccc(Cc2nc(N)cc(C3CC3)n2)c1
InChIInChI=1S/C15H17N3/c1-10-3-2-4-11(7-10)8-15-17-13(12-5-6-12)9-14(16)18-15/h2-4,7,9,12H,5-6,8H2,1H3,(H2,16,17,18)
InChIKeyFFZCGEKZPKIVDU-UHFFFAOYSA-N
XLogP2.84
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine (CID 63354058) is 6-cyclopropyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine is Cc1cccc(Cc2nc(N)cc(C3CC3)n2)c1.
What is the InChIKey of 6-cyclopropyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine?
The InChIKey is FFZCGEKZPKIVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-10-3-2-4-11(7-10)8-15-17-13(12-5-6-12)9-14(16)18-15/h2-4,7,9,12H,5-6,8H2,1H3,(H2,16,17,18).
What are the key properties of 6-cyclopropyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine?
6-cyclopropyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine has a molecular weight of 239.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 63354058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).