N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine

C19H26N4O — CID 56703021

IUPACN-[(4-methoxyphenyl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine
SMILESCOc1ccc(CN(C)c2cc(C3CCCNC3)nc(C)n2)cc1
InChIInChI=1S/C19H26N4O/c1-14-21-18(16-5-4-10-20-12-16)11-19(22-14)23(2)13-15-6-8-17(24-3)9-7-15/h6-9,11,16,20H,4-5,10,12-13H2,1-3H3
InChIKeyJCUAKGJBLFRBJT-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.90
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine

N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine (PubChem CID 56703021) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine
PubChem CID56703021
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[(4-methoxyphenyl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine
SMILESCOc1ccc(CN(C)c2cc(C3CCCNC3)nc(C)n2)cc1
InChIInChI=1S/C19H26N4O/c1-14-21-18(16-5-4-10-20-12-16)11-19(22-14)23(2)13-15-6-8-17(24-3)9-7-15/h6-9,11,16,20H,4-5,10,12-13H2,1-3H3
InChIKeyJCUAKGJBLFRBJT-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-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-dimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine
CID 56711716
N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine
CID 95204089
6-(3-aminocyclobutyl)-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 91767141
3-(4-methoxyphenyl)-N-methyl-N-[[4-(methylamino)-6-[(3S)-piperidin-3-yl]pyrimidin-2-yl]methyl]propanamide
CID 92624340
3-(4-methoxyphenyl)-N-methyl-N-[[4-(methylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]propanamide
CID 92624339
3-(4-methoxyphenyl)piperidine
CID 12937920
4-N-ethyl-4-N,2-dimethyl-6-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 115266504
N-(2-methoxyethyl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine
CID 175657002
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine
CID 95207906
N-(4-methoxyphenyl)-2-[methyl-[[4-(methylamino)-6-piperidin-3-ylpyrimidin-2-yl]methyl]amino]acetamide
CID 110259724
N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine
CID 56714740
4-(azetidin-3-yl)-6-(4-methoxyphenyl)-2-methylpyrimidine
CID 95846620

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine (CID 56703021) is N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine is COc1ccc(CN(C)c2cc(C3CCCNC3)nc(C)n2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine?
The InChIKey is JCUAKGJBLFRBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14-21-18(16-5-4-10-20-12-16)11-19(22-14)23(2)13-15-6-8-17(24-3)9-7-15/h6-9,11,16,20H,4-5,10,12-13H2,1-3H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine?
N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine has a molecular weight of 326.44 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 56703021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).