6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine

C14H17N3 — CID 62191554

IUPAC6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine
SMILESCCc1cc(N)nc(CCc2ccccc2)n1
InChIInChI=1S/C14H17N3/c1-2-12-10-13(15)17-14(16-12)9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H2,15,16,17)
InChIKeyRCOHMDSBXPVPJZ-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.41
Rot. Bonds4

About 6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine

6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine (PubChem CID 62191554) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine
PubChem CID62191554
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine
SMILESCCc1cc(N)nc(CCc2ccccc2)n1
InChIInChI=1S/C14H17N3/c1-2-12-10-13(15)17-14(16-12)9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H2,15,16,17)
InChIKeyRCOHMDSBXPVPJZ-UHFFFAOYSA-N
XLogP2.41
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine (CID 62191554) is 6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine is CCc1cc(N)nc(CCc2ccccc2)n1.
What is the InChIKey of 6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine?
The InChIKey is RCOHMDSBXPVPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-12-10-13(15)17-14(16-12)9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H2,15,16,17).
What are the key properties of 6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine?
6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine has a molecular weight of 227.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 62191554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).