N-[(2-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine

C19H26N4O — CID 112910881

IUPACN-[(2-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCOc1ccccc1CNc1cc(C)nc(N2CCC(C)CC2)n1
InChIInChI=1S/C19H26N4O/c1-14-8-10-23(11-9-14)19-21-15(2)12-18(22-19)20-13-16-6-4-5-7-17(16)24-3/h4-7,12,14H,8-11,13H2,1-3H3,(H,20,21,22)
InChIKeyNTWCJHBAUBCQJZ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.64
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine

N-[(2-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112910881) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112910881
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[(2-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCOc1ccccc1CNc1cc(C)nc(N2CCC(C)CC2)n1
InChIInChI=1S/C19H26N4O/c1-14-8-10-23(11-9-14)19-21-15(2)12-18(22-19)20-13-16-6-4-5-7-17(16)24-3/h4-7,12,14H,8-11,13H2,1-3H3,(H,20,21,22)
InChIKeyNTWCJHBAUBCQJZ-UHFFFAOYSA-N
XLogP3.64
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112918204
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine
CID 112918175
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112910903
6-methyl-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-4-amine
CID 112910888
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112920951
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910186
N-[(2-methoxyphenyl)methyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934233
N-benzyl-2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112915514
2-N-cyclohexyl-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112910525
2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine
CID 80931728
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112910901
N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112911371

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112910881) is N-[(2-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine is COc1ccccc1CNc1cc(C)nc(N2CCC(C)CC2)n1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is NTWCJHBAUBCQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14-8-10-23(11-9-14)19-21-15(2)12-18(22-19)20-13-16-6-4-5-7-17(16)24-3/h4-7,12,14H,8-11,13H2,1-3H3,(H,20,21,22).
What are the key properties of N-[(2-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
N-[(2-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 326.44 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112910881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).