N-(2-phenylethyl)-6-propylpyrimidin-4-amine

C15H19N3 — CID 61240140

IUPACN-(2-phenylethyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCCc2ccccc2)ncn1
InChIInChI=1S/C15H19N3/c1-2-6-14-11-15(18-12-17-14)16-10-9-13-7-4-3-5-8-13/h3-5,7-8,11-12H,2,6,9-10H2,1H3,(H,16,17,18)
InChIKeyPFACRMWNRFNWQK-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.08
Rot. Bonds6

About N-(2-phenylethyl)-6-propylpyrimidin-4-amine

N-(2-phenylethyl)-6-propylpyrimidin-4-amine (PubChem CID 61240140) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-(2-phenylethyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-6-propylpyrimidin-4-amine
PubChem CID61240140
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-(2-phenylethyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCCc2ccccc2)ncn1
InChIInChI=1S/C15H19N3/c1-2-6-14-11-15(18-12-17-14)16-10-9-13-7-4-3-5-8-13/h3-5,7-8,11-12H,2,6,9-10H2,1H3,(H,16,17,18)
InChIKeyPFACRMWNRFNWQK-UHFFFAOYSA-N
XLogP3.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-6-propylpyrimidin-4-amine?
The IUPAC name of N-(2-phenylethyl)-6-propylpyrimidin-4-amine (CID 61240140) is N-(2-phenylethyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-(2-phenylethyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for N-(2-phenylethyl)-6-propylpyrimidin-4-amine is CCCc1cc(NCCc2ccccc2)ncn1.
What is the InChIKey of N-(2-phenylethyl)-6-propylpyrimidin-4-amine?
The InChIKey is PFACRMWNRFNWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-6-14-11-15(18-12-17-14)16-10-9-13-7-4-3-5-8-13/h3-5,7-8,11-12H,2,6,9-10H2,1H3,(H,16,17,18).
What are the key properties of N-(2-phenylethyl)-6-propylpyrimidin-4-amine?
N-(2-phenylethyl)-6-propylpyrimidin-4-amine has a molecular weight of 241.34 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 61240140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).