4-methyl-N-(2-phenylcyclopropyl)pyrimidin-2-amine

C14H15N3 — CID 62958917

IUPAC4-methyl-N-(2-phenylcyclopropyl)pyrimidin-2-amine
SMILESCc1ccnc(NC2CC2c2ccccc2)n1
InChIInChI=1S/C14H15N3/c1-10-7-8-15-14(16-10)17-13-9-12(13)11-5-3-2-4-6-11/h2-8,12-13H,9H2,1H3,(H,15,16,17)
InChIKeySJIMNSDMPLYCPC-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.75
Rot. Bonds3

About 4-methyl-N-(2-phenylcyclopropyl)pyrimidin-2-amine

4-methyl-N-(2-phenylcyclopropyl)pyrimidin-2-amine (PubChem CID 62958917) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-methyl-N-(2-phenylcyclopropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(2-phenylcyclopropyl)pyrimidin-2-amine
PubChem CID62958917
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name4-methyl-N-(2-phenylcyclopropyl)pyrimidin-2-amine
SMILESCc1ccnc(NC2CC2c2ccccc2)n1
InChIInChI=1S/C14H15N3/c1-10-7-8-15-14(16-10)17-13-9-12(13)11-5-3-2-4-6-11/h2-8,12-13H,9H2,1H3,(H,15,16,17)
InChIKeySJIMNSDMPLYCPC-UHFFFAOYSA-N
XLogP2.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-phenylcyclopropyl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-(2-phenylcyclopropyl)pyrimidin-2-amine (CID 62958917) is 4-methyl-N-(2-phenylcyclopropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-(2-phenylcyclopropyl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-(2-phenylcyclopropyl)pyrimidin-2-amine is Cc1ccnc(NC2CC2c2ccccc2)n1.
What is the InChIKey of 4-methyl-N-(2-phenylcyclopropyl)pyrimidin-2-amine?
The InChIKey is SJIMNSDMPLYCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-10-7-8-15-14(16-10)17-13-9-12(13)11-5-3-2-4-6-11/h2-8,12-13H,9H2,1H3,(H,15,16,17).
What are the key properties of 4-methyl-N-(2-phenylcyclopropyl)pyrimidin-2-amine?
4-methyl-N-(2-phenylcyclopropyl)pyrimidin-2-amine has a molecular weight of 225.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-phenylcyclopropyl)pyrimidin-2-amine is sourced from PubChem (CID 62958917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).