4-ethoxy-N-(1-phenylpropyl)pyrimidin-2-amine

C15H19N3O — CID 112637466

IUPAC4-ethoxy-N-(1-phenylpropyl)pyrimidin-2-amine
SMILESCCOc1ccnc(NC(CC)c2ccccc2)n1
InChIInChI=1S/C15H19N3O/c1-3-13(12-8-6-5-7-9-12)17-15-16-11-10-14(18-15)19-4-2/h5-11,13H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyFICFTYKZJPSONP-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.44
Rot. Bonds6

About 4-ethoxy-N-(1-phenylpropyl)pyrimidin-2-amine

4-ethoxy-N-(1-phenylpropyl)pyrimidin-2-amine (PubChem CID 112637466) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-ethoxy-N-(1-phenylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-(1-phenylpropyl)pyrimidin-2-amine
PubChem CID112637466
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-ethoxy-N-(1-phenylpropyl)pyrimidin-2-amine
SMILESCCOc1ccnc(NC(CC)c2ccccc2)n1
InChIInChI=1S/C15H19N3O/c1-3-13(12-8-6-5-7-9-12)17-15-16-11-10-14(18-15)19-4-2/h5-11,13H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyFICFTYKZJPSONP-UHFFFAOYSA-N
XLogP3.44
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxypyrimidin-2-yl)amino]-2-phenylethanol
CID 112689970
N-(1-chloropropan-2-yl)-4-ethoxypyrimidin-2-amine
CID 112639273
N-[1-(4-aminophenyl)ethyl]-4-ethoxypyrimidin-2-amine
CID 112638879
4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine
CID 112636504
4-methyl-N-(1-phenylpropyl)-6-propoxypyrimidin-2-amine
CID 115974921
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methoxypyrimidin-2-amine
CID 154837636
4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636546
N-(2,5-dimethylpyrrol-1-yl)-4-ethoxypyrimidin-2-amine
CID 112638153
N-(2-chloro-1-phenylethyl)-4-methylpyrimidin-2-amine
CID 65029267
4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 112636496
3-cyclopropyl-3-[(4-ethoxypyrimidin-2-yl)amino]propanoic acid
CID 112636256
2-[(4-ethoxypyrimidin-2-yl)amino]acetic acid
CID 112635975

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(1-phenylpropyl)pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-(1-phenylpropyl)pyrimidin-2-amine (CID 112637466) is 4-ethoxy-N-(1-phenylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-(1-phenylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-(1-phenylpropyl)pyrimidin-2-amine is CCOc1ccnc(NC(CC)c2ccccc2)n1.
What is the InChIKey of 4-ethoxy-N-(1-phenylpropyl)pyrimidin-2-amine?
The InChIKey is FICFTYKZJPSONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-13(12-8-6-5-7-9-12)17-15-16-11-10-14(18-15)19-4-2/h5-11,13H,3-4H2,1-2H3,(H,16,17,18).
What are the key properties of 4-ethoxy-N-(1-phenylpropyl)pyrimidin-2-amine?
4-ethoxy-N-(1-phenylpropyl)pyrimidin-2-amine has a molecular weight of 257.34 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(1-phenylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 112637466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).