N-[3-[(2R)-2-ethylpentoxy]-4-methoxyphenyl]-4-methylpyrimidin-2-amine

C19H27N3O2 — CID 163875450

IUPACN-[3-[(2R)-2-ethylpentoxy]-4-methoxyphenyl]-4-methylpyrimidin-2-amine
SMILESCCC[C@@H](CC)COc1cc(Nc2nccc(C)n2)ccc1OC
InChIInChI=1S/C19H27N3O2/c1-5-7-15(6-2)13-24-18-12-16(8-9-17(18)23-4)22-19-20-11-10-14(3)21-19/h8-12,15H,5-7,13H2,1-4H3,(H,20,21,22)/t15-/m1/s1
InChIKeyPOLWIHCWEUYLEA-OAHLLOKOSA-N
MW329.44 g/mol
LogP4.74
Rot. Bonds9

About N-[3-[(2R)-2-ethylpentoxy]-4-methoxyphenyl]-4-methylpyrimidin-2-amine

N-[3-[(2R)-2-ethylpentoxy]-4-methoxyphenyl]-4-methylpyrimidin-2-amine (PubChem CID 163875450) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[3-[(2R)-2-ethylpentoxy]-4-methoxyphenyl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-[(2R)-2-ethylpentoxy]-4-methoxyphenyl]-4-methylpyrimidin-2-amine
PubChem CID163875450
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[3-[(2R)-2-ethylpentoxy]-4-methoxyphenyl]-4-methylpyrimidin-2-amine
SMILESCCC[C@@H](CC)COc1cc(Nc2nccc(C)n2)ccc1OC
InChIInChI=1S/C19H27N3O2/c1-5-7-15(6-2)13-24-18-12-16(8-9-17(18)23-4)22-19-20-11-10-14(3)21-19/h8-12,15H,5-7,13H2,1-4H3,(H,20,21,22)/t15-/m1/s1
InChIKeyPOLWIHCWEUYLEA-OAHLLOKOSA-N
XLogP4.74
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[(2R)-2-ethylpentoxy]-4-methoxyphenyl]-4-methylpyrimidin-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

N-(2-methoxy-4-pyridinyl)-4-methylpyrimidin-2-amine
CID 66596222
N-(3-fluoro-5-methoxyphenyl)-4-methylpyrimidin-2-amine
CID 133362348
2-N,4-N,6-N-tris[3-(2-ethoxyethoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4,6-triamine
CID 23527673
N-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinolin-1-amine
CID 156575619
4-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 12817737
4-N-(3,4-dimethoxyphenyl)-2-N-methyl-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 23536418
3-[[(4-methylpyrimidin-2-yl)amino]methyl]hexan-1-ol
CID 103705117
2-N-(3-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112903721
N-(4-bromo-3-methoxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 133340861
2-N-(2-amino-3-methoxypropyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 174734138
2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine
CID 10133924
4-N-(3,4-dimethoxyphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925313

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-2-ethylpentoxy]-4-methoxyphenyl]-4-methylpyrimidin-2-amine?
The IUPAC name of N-[3-[(2R)-2-ethylpentoxy]-4-methoxyphenyl]-4-methylpyrimidin-2-amine (CID 163875450) is N-[3-[(2R)-2-ethylpentoxy]-4-methoxyphenyl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-[3-[(2R)-2-ethylpentoxy]-4-methoxyphenyl]-4-methylpyrimidin-2-amine?
The canonical SMILES for N-[3-[(2R)-2-ethylpentoxy]-4-methoxyphenyl]-4-methylpyrimidin-2-amine is CCC[C@@H](CC)COc1cc(Nc2nccc(C)n2)ccc1OC.
What is the InChIKey of N-[3-[(2R)-2-ethylpentoxy]-4-methoxyphenyl]-4-methylpyrimidin-2-amine?
The InChIKey is POLWIHCWEUYLEA-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-5-7-15(6-2)13-24-18-12-16(8-9-17(18)23-4)22-19-20-11-10-14(3)21-19/h8-12,15H,5-7,13H2,1-4H3,(H,20,21,22)/t15-/m1/s1.
What are the key properties of N-[3-[(2R)-2-ethylpentoxy]-4-methoxyphenyl]-4-methylpyrimidin-2-amine?
N-[3-[(2R)-2-ethylpentoxy]-4-methoxyphenyl]-4-methylpyrimidin-2-amine has a molecular weight of 329.44 g/mol, XLogP of 4.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-2-ethylpentoxy]-4-methoxyphenyl]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 163875450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).