N-benzyl-4-cyclohexyloxy-6-methylpyrimidin-2-amine

C18H23N3O — CID 697245

IUPACN-benzyl-4-cyclohexyloxy-6-methylpyrimidin-2-amine
SMILESCc1cc(OC2CCCCC2)nc(NCc2ccccc2)n1
InChIInChI=1S/C18H23N3O/c1-14-12-17(22-16-10-6-3-7-11-16)21-18(20-14)19-13-15-8-4-2-5-9-15/h2,4-5,8-9,12,16H,3,6-7,10-11,13H2,1H3,(H,19,20,21)
InChIKeyQPMWYWFYDUQTAV-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.11
Rot. Bonds5

About N-benzyl-4-cyclohexyloxy-6-methylpyrimidin-2-amine

N-benzyl-4-cyclohexyloxy-6-methylpyrimidin-2-amine (PubChem CID 697245) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-benzyl-4-cyclohexyloxy-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-cyclohexyloxy-6-methylpyrimidin-2-amine
PubChem CID697245
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-benzyl-4-cyclohexyloxy-6-methylpyrimidin-2-amine
SMILESCc1cc(OC2CCCCC2)nc(NCc2ccccc2)n1
InChIInChI=1S/C18H23N3O/c1-14-12-17(22-16-10-6-3-7-11-16)21-18(20-14)19-13-15-8-4-2-5-9-15/h2,4-5,8-9,12,16H,3,6-7,10-11,13H2,1H3,(H,19,20,21)
InChIKeyQPMWYWFYDUQTAV-UHFFFAOYSA-N
XLogP4.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Enecadin
CID 6433114
4-(4-Fluorophenyl)-2-methyl-6-(5-piperidinopentyloxy)pyrimidine hydrochloride
CID 9800750
N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(4-methoxyphenyl)ethyl]guanidine
CID 3013233
4-(Cyclohexyloxy)quinazoline
CID 44591868
2,4-Diphenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine
CID 118723352
6-(4-Methoxyphenyl)-N~4~-Octylpyrimidine-2,4-Diamine
CID 75815438
6-(5-Phenoxypentyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride
CID 155532752
4-N-methyl-6-[(1S)-1-phenylethoxy]pyrimidine-2,4-diamine
CID 155548365
6-(3-Phenoxypropyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride
CID 155555730
(4,6-Dimethyl-pyrimidin-2-yl)-(4-methoxy-benzyl)-cyanamide
CID 3152233
4-((2-(Benzylamino)-6-methylpyrimidin-4-yl)oxy)benzonitrile
CID 1927680

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-cyclohexyloxy-6-methylpyrimidin-2-amine?
The IUPAC name of N-benzyl-4-cyclohexyloxy-6-methylpyrimidin-2-amine (CID 697245) is N-benzyl-4-cyclohexyloxy-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-benzyl-4-cyclohexyloxy-6-methylpyrimidin-2-amine?
The canonical SMILES for N-benzyl-4-cyclohexyloxy-6-methylpyrimidin-2-amine is Cc1cc(OC2CCCCC2)nc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-4-cyclohexyloxy-6-methylpyrimidin-2-amine?
The InChIKey is QPMWYWFYDUQTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14-12-17(22-16-10-6-3-7-11-16)21-18(20-14)19-13-15-8-4-2-5-9-15/h2,4-5,8-9,12,16H,3,6-7,10-11,13H2,1H3,(H,19,20,21).
What are the key properties of N-benzyl-4-cyclohexyloxy-6-methylpyrimidin-2-amine?
N-benzyl-4-cyclohexyloxy-6-methylpyrimidin-2-amine has a molecular weight of 297.40 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-cyclohexyloxy-6-methylpyrimidin-2-amine is sourced from PubChem (CID 697245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).