4-ethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine

C16H21N3O — CID 115974875

IUPAC4-ethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C16H21N3O/c1-4-20-15-9-10-17-16(19-15)18-11-13-5-7-14(8-6-13)12(2)3/h5-10,12H,4,11H2,1-3H3,(H,17,18,19)
InChIKeyIYQVGDBPWNIBNO-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.61
Rot. Bonds6

About 4-ethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine

4-ethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine (PubChem CID 115974875) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-ethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
PubChem CID115974875
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-ethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C16H21N3O/c1-4-20-15-9-10-17-16(19-15)18-11-13-5-7-14(8-6-13)12(2)3/h5-10,12H,4,11H2,1-3H3,(H,17,18,19)
InChIKeyIYQVGDBPWNIBNO-UHFFFAOYSA-N
XLogP3.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-ethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine 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

4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 112636470
4-ethoxy-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 112636517
4-[[(4-ethoxypyrimidin-2-yl)amino]methyl]benzoic acid
CID 115974005
(1R)-1-[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]ethanol
CID 94197015
N-(2,3-dimethylbutyl)-4-ethoxypyrimidin-2-amine
CID 112637900
N-[(4-aminophenyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112638872
4-ethoxy-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine
CID 112636913
4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636546
N-[1-(4-aminophenyl)ethyl]-4-ethoxypyrimidin-2-amine
CID 112638879
2-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 107553513
4,6-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
CID 115355071
N-[(3-amino-4-methoxyphenyl)methyl]-4-ethoxypyrimidin-2-amine
CID 115975528

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine (CID 115974875) is 4-ethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine is CCOc1ccnc(NCc2ccc(C(C)C)cc2)n1.
What is the InChIKey of 4-ethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine?
The InChIKey is IYQVGDBPWNIBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-20-15-9-10-17-16(19-15)18-11-13-5-7-14(8-6-13)12(2)3/h5-10,12H,4,11H2,1-3H3,(H,17,18,19).
What are the key properties of 4-ethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine?
4-ethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine has a molecular weight of 271.36 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 115974875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).