N-[(4-cyclopropyloxyphenyl)-pyrimidin-4-ylmethyl]ethanamine

C16H19N3O — CID 114519422

IUPACN-[(4-cyclopropyloxyphenyl)-pyrimidin-4-ylmethyl]ethanamine
SMILESCCNC(c1ccc(OC2CC2)cc1)c1ccncn1
InChIInChI=1S/C16H19N3O/c1-2-18-16(15-9-10-17-11-19-15)12-3-5-13(6-4-12)20-14-7-8-14/h3-6,9-11,14,16,18H,2,7-8H2,1H3
InChIKeySZVQWBJMLSNNDR-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.72
Rot. Bonds6

About N-[(4-cyclopropyloxyphenyl)-pyrimidin-4-ylmethyl]ethanamine

N-[(4-cyclopropyloxyphenyl)-pyrimidin-4-ylmethyl]ethanamine (PubChem CID 114519422) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[(4-cyclopropyloxyphenyl)-pyrimidin-4-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-cyclopropyloxyphenyl)-pyrimidin-4-ylmethyl]ethanamine
PubChem CID114519422
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[(4-cyclopropyloxyphenyl)-pyrimidin-4-ylmethyl]ethanamine
SMILESCCNC(c1ccc(OC2CC2)cc1)c1ccncn1
InChIInChI=1S/C16H19N3O/c1-2-18-16(15-9-10-17-11-19-15)12-3-5-13(6-4-12)20-14-7-8-14/h3-6,9-11,14,16,18H,2,7-8H2,1H3
InChIKeySZVQWBJMLSNNDR-UHFFFAOYSA-N
XLogP2.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-cyclopropyloxyphenyl)-pyrimidin-4-ylmethyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)-pyrimidin-4-ylmethyl]ethanamine
CID 63988973
1-(4-cyclopropyloxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine
CID 114519365
N-[(3,5-difluorophenyl)-pyrimidin-4-ylmethyl]ethanamine
CID 63987713
1-(3-cyclopropyloxyphenyl)-N-methyl-1-pyrimidin-4-ylmethanamine
CID 114521712
N-[(3-cyclopropyloxyphenyl)-pyridin-4-ylmethyl]ethanamine
CID 114521537
N-[(4-cyclopropyloxyphenyl)-thiophen-2-ylmethyl]ethanamine
CID 114519196
N-[(4-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105188445
N-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(pyrimidin-4-yl)methyl]ethanamine
CID 63990205
N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine
CID 114519282
N-[(4-cyclopropyloxyphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 105051409
N-[2,3-dihydro-1-benzofuran-5-yl(pyrimidin-4-yl)methyl]ethanamine
CID 104542545
N-[(4-cyclopropyloxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 105051586

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyloxyphenyl)-pyrimidin-4-ylmethyl]ethanamine?
The IUPAC name of N-[(4-cyclopropyloxyphenyl)-pyrimidin-4-ylmethyl]ethanamine (CID 114519422) is N-[(4-cyclopropyloxyphenyl)-pyrimidin-4-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-cyclopropyloxyphenyl)-pyrimidin-4-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-cyclopropyloxyphenyl)-pyrimidin-4-ylmethyl]ethanamine is CCNC(c1ccc(OC2CC2)cc1)c1ccncn1.
What is the InChIKey of N-[(4-cyclopropyloxyphenyl)-pyrimidin-4-ylmethyl]ethanamine?
The InChIKey is SZVQWBJMLSNNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-18-16(15-9-10-17-11-19-15)12-3-5-13(6-4-12)20-14-7-8-14/h3-6,9-11,14,16,18H,2,7-8H2,1H3.
What are the key properties of N-[(4-cyclopropyloxyphenyl)-pyrimidin-4-ylmethyl]ethanamine?
N-[(4-cyclopropyloxyphenyl)-pyrimidin-4-ylmethyl]ethanamine has a molecular weight of 269.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyloxyphenyl)-pyrimidin-4-ylmethyl]ethanamine is sourced from PubChem (CID 114519422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).