N-(cyclohexylmethyl)-4-methoxy-N-methylpyrimidin-2-amine

C13H21N3O — CID 112813486

IUPACN-(cyclohexylmethyl)-4-methoxy-N-methylpyrimidin-2-amine
SMILESCOc1ccnc(N(C)CC2CCCCC2)n1
InChIInChI=1S/C13H21N3O/c1-16(10-11-6-4-3-5-7-11)13-14-9-8-12(15-13)17-2/h8-9,11H,3-7,10H2,1-2H3
InChIKeyXXQRCASZZKNOGK-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.50
Rot. Bonds4

About N-(cyclohexylmethyl)-4-methoxy-N-methylpyrimidin-2-amine

N-(cyclohexylmethyl)-4-methoxy-N-methylpyrimidin-2-amine (PubChem CID 112813486) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-methoxy-N-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-methoxy-N-methylpyrimidin-2-amine
PubChem CID112813486
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(cyclohexylmethyl)-4-methoxy-N-methylpyrimidin-2-amine
SMILESCOc1ccnc(N(C)CC2CCCCC2)n1
InChIInChI=1S/C13H21N3O/c1-16(10-11-6-4-3-5-7-11)13-14-9-8-12(15-13)17-2/h8-9,11H,3-7,10H2,1-2H3
InChIKeyXXQRCASZZKNOGK-UHFFFAOYSA-N
XLogP2.50
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(cyclohexylmethyl)-4-methoxy-N-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

4-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine
CID 165433420
2-[cyclobutylmethyl(methyl)amino]pyrimidine-4-carbonitrile
CID 107544379
N-(cyclopentylmethyl)-4-methoxypyrimidin-2-amine
CID 112684482
N-(2-chloroethyl)-N-cyclopentyl-4-methoxypyrimidin-2-amine
CID 63388459
N'-(4-methoxypyrimidin-2-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 62586031
4-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine
CID 106643074
[2-[cyclohexylmethyl(methyl)amino]-4-methylpyrimidin-5-yl]methanol
CID 83184195
(2S)-3-[(4-methoxypyrimidin-2-yl)-methylamino]propane-1,2-diol
CID 75398484
N-(cyclopentylmethyl)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 133304236
N,N-bis(2-chloroethyl)-4-methoxypyrimidin-2-amine
CID 54226938
N-(cyclohexylmethyl)-N,4-dimethyl-5-(methylaminomethyl)pyrimidin-2-amine
CID 83186072
8-(cyclohexylmethoxy)-2-methoxy-1,5-naphthyridine
CID 142884547

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-methoxy-N-methylpyrimidin-2-amine?
The IUPAC name of N-(cyclohexylmethyl)-4-methoxy-N-methylpyrimidin-2-amine (CID 112813486) is N-(cyclohexylmethyl)-4-methoxy-N-methylpyrimidin-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-4-methoxy-N-methylpyrimidin-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)-4-methoxy-N-methylpyrimidin-2-amine is COc1ccnc(N(C)CC2CCCCC2)n1.
What is the InChIKey of N-(cyclohexylmethyl)-4-methoxy-N-methylpyrimidin-2-amine?
The InChIKey is XXQRCASZZKNOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-16(10-11-6-4-3-5-7-11)13-14-9-8-12(15-13)17-2/h8-9,11H,3-7,10H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-4-methoxy-N-methylpyrimidin-2-amine?
N-(cyclohexylmethyl)-4-methoxy-N-methylpyrimidin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-methoxy-N-methylpyrimidin-2-amine is sourced from PubChem (CID 112813486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).