N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine

C21H26N6O — CID 133331042

IUPACN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
SMILESCOc1ccccc1C(Nc1cc(N2CCCCC2)ncn1)c1nccn1C
InChIInChI=1S/C21H26N6O/c1-26-13-10-22-21(26)20(16-8-4-5-9-17(16)28-2)25-18-14-19(24-15-23-18)27-11-6-3-7-12-27/h4-5,8-10,13-15,20H,3,6-7,11-12H2,1-2H3,(H,23,24,25)
InChIKeyMRDARCCDUACAAT-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.41
Rot. Bonds6

About N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine

N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 133331042) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID133331042
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
SMILESCOc1ccccc1C(Nc1cc(N2CCCCC2)ncn1)c1nccn1C
InChIInChI=1S/C21H26N6O/c1-26-13-10-22-21(26)20(16-8-4-5-9-17(16)28-2)25-18-14-19(24-15-23-18)27-11-6-3-7-12-27/h4-5,8-10,13-15,20H,3,6-7,11-12H2,1-2H3,(H,23,24,25)
InChIKeyMRDARCCDUACAAT-UHFFFAOYSA-N
XLogP3.41
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile
CID 41015325
6-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile
CID 133331028
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315755
1-cyclooctyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55597981
N-[1-(3,4-dimethoxyphenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297281
N-(1-phenylethyl)-6-piperidin-1-ylpyrimidin-4-amine
CID 112856019
6-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112859333
2-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile
CID 18109382
N-[1-(2-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 133290454
2-cyclohexylidene-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 94635187
N-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 86854923
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 41023767

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine (CID 133331042) is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine is COc1ccccc1C(Nc1cc(N2CCCCC2)ncn1)c1nccn1C.
What is the InChIKey of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is MRDARCCDUACAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-26-13-10-22-21(26)20(16-8-4-5-9-17(16)28-2)25-18-14-19(24-15-23-18)27-11-6-3-7-12-27/h4-5,8-10,13-15,20H,3,6-7,11-12H2,1-2H3,(H,23,24,25).
What are the key properties of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine?
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 378.48 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 133331042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).