6-cyclopropyl-N-methyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine

C18H21N3 — CID 63354344

IUPAC6-cyclopropyl-N-methyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine
SMILESCNc1cc(C2CC2)nc(C2(c3ccccc3)CCC2)n1
InChIInChI=1S/C18H21N3/c1-19-16-12-15(13-8-9-13)20-17(21-16)18(10-5-11-18)14-6-3-2-4-7-14/h2-4,6-7,12-13H,5,8-11H2,1H3,(H,19,20,21)
InChIKeyVNPFOEXYYWOLKI-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.87
Rot. Bonds4

About 6-cyclopropyl-N-methyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine

6-cyclopropyl-N-methyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine (PubChem CID 63354344) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 6-cyclopropyl-N-methyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-methyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine
PubChem CID63354344
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name6-cyclopropyl-N-methyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine
SMILESCNc1cc(C2CC2)nc(C2(c3ccccc3)CCC2)n1
InChIInChI=1S/C18H21N3/c1-19-16-12-15(13-8-9-13)20-17(21-16)18(10-5-11-18)14-6-3-2-4-7-14/h2-4,6-7,12-13H,5,8-11H2,1H3,(H,19,20,21)
InChIKeyVNPFOEXYYWOLKI-UHFFFAOYSA-N
XLogP3.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-methyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-methyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine (CID 63354344) is 6-cyclopropyl-N-methyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-methyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-methyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine is CNc1cc(C2CC2)nc(C2(c3ccccc3)CCC2)n1.
What is the InChIKey of 6-cyclopropyl-N-methyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine?
The InChIKey is VNPFOEXYYWOLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-19-16-12-15(13-8-9-13)20-17(21-16)18(10-5-11-18)14-6-3-2-4-7-14/h2-4,6-7,12-13H,5,8-11H2,1H3,(H,19,20,21).
What are the key properties of 6-cyclopropyl-N-methyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine?
6-cyclopropyl-N-methyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine has a molecular weight of 279.39 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-methyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine is sourced from PubChem (CID 63354344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).