N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine

C23H30N8O — CID 42941869

IUPACN-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCOc1ccc(C(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c2nccn2C)cc1
InChIInChI=1S/C23H30N8O/c1-29-16-11-24-20(29)19(17-7-9-18(32-2)10-8-17)25-21-26-22(30-12-3-4-13-30)28-23(27-21)31-14-5-6-15-31/h7-11,16,19H,3-6,12-15H2,1-2H3,(H,25,26,27,28)
InChIKeyPSQMSQXYXKSTDY-UHFFFAOYSA-N
MW434.55 g/mol
LogP3.02
Rot. Bonds7

About N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine

N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 42941869) has the molecular formula C23H30N8O and a molecular weight of 434.55 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID42941869
Molecular FormulaC23H30N8O
Molecular Weight434.55 g/mol
Exact Mass434.25
IUPAC NameN-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCOc1ccc(C(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c2nccn2C)cc1
InChIInChI=1S/C23H30N8O/c1-29-16-11-24-20(29)19(17-7-9-18(32-2)10-8-17)25-21-26-22(30-12-3-4-13-30)28-23(27-21)31-14-5-6-15-31/h7-11,16,19H,3-6,12-15H2,1-2H3,(H,25,26,27,28)
InChIKeyPSQMSQXYXKSTDY-UHFFFAOYSA-N
XLogP3.02
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.55
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-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-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
CID 35784614
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 46528505
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine
CID 94497913
N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 40939556
6-[[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyrazine-2-carboxamide
CID 96566827
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
2-fluoro-6-[[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]benzonitrile
CID 35784561
3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea
CID 110429250
(2R)-4-methoxy-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]butan-2-amine
CID 97321749
4-methoxy-N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
CID 30160578
1-ethylsulfonyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 17496386
3-cyclopentyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 25346365

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 42941869) is N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is COc1ccc(C(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c2nccn2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is PSQMSQXYXKSTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8O/c1-29-16-11-24-20(29)19(17-7-9-18(32-2)10-8-17)25-21-26-22(30-12-3-4-13-30)28-23(27-21)31-14-5-6-15-31/h7-11,16,19H,3-6,12-15H2,1-2H3,(H,25,26,27,28).
What are the key properties of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 434.55 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 42941869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).