2-benzyl-N-ethyl-6-propylpyrimidin-4-amine

C16H21N3 — CID 62192157

IUPAC2-benzyl-N-ethyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC)nc(Cc2ccccc2)n1
InChIInChI=1S/C16H21N3/c1-3-8-14-12-15(17-4-2)19-16(18-14)11-13-9-6-5-7-10-13/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,17,18,19)
InChIKeyKCDOQCPOWGRZOD-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.45
Rot. Bonds6

About 2-benzyl-N-ethyl-6-propylpyrimidin-4-amine

2-benzyl-N-ethyl-6-propylpyrimidin-4-amine (PubChem CID 62192157) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-benzyl-N-ethyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-N-ethyl-6-propylpyrimidin-4-amine
PubChem CID62192157
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-benzyl-N-ethyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC)nc(Cc2ccccc2)n1
InChIInChI=1S/C16H21N3/c1-3-8-14-12-15(17-4-2)19-16(18-14)11-13-9-6-5-7-10-13/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,17,18,19)
InChIKeyKCDOQCPOWGRZOD-UHFFFAOYSA-N
XLogP3.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-N-ethyl-6-methylpyrimidin-4-amine
CID 62191071
2-[(4-methylphenyl)methyl]-N,6-dipropylpyrimidin-4-amine
CID 63485762
2-[(3-chlorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine
CID 63486808
2-benzyl-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 62320410
N-ethyl-2-propyl-6-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 104737131
2-[(2-fluorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine
CID 63485042
2-benzyl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485421
2-[(3-chlorophenyl)methyl]-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62320406
2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 62191091
[2-[(3,5-dimethylphenyl)methyl]-6-propylpyrimidin-4-yl]hydrazine
CID 62594083
6-phenyl-N,2-dipropylpyrimidin-4-amine
CID 55193281
6-ethyl-N-methyl-2-(2-phenylethyl)pyrimidin-4-amine
CID 62190210

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-ethyl-6-propylpyrimidin-4-amine?
The IUPAC name of 2-benzyl-N-ethyl-6-propylpyrimidin-4-amine (CID 62192157) is 2-benzyl-N-ethyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-N-ethyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-benzyl-N-ethyl-6-propylpyrimidin-4-amine is CCCc1cc(NCC)nc(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-N-ethyl-6-propylpyrimidin-4-amine?
The InChIKey is KCDOQCPOWGRZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-8-14-12-15(17-4-2)19-16(18-14)11-13-9-6-5-7-10-13/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,17,18,19).
What are the key properties of 2-benzyl-N-ethyl-6-propylpyrimidin-4-amine?
2-benzyl-N-ethyl-6-propylpyrimidin-4-amine has a molecular weight of 255.37 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-ethyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 62192157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).