4-N-(1-benzylpiperidin-4-yl)-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4,6-triamine

C25H32N6O3 — CID 117087606

IUPAC4-N-(1-benzylpiperidin-4-yl)-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4,6-triamine
SMILESCOc1cc(Nc2cc(NC3CCN(Cc4ccccc4)CC3)nc(N)n2)cc(OC)c1OC
InChIInChI=1S/C25H32N6O3/c1-32-20-13-19(14-21(33-2)24(20)34-3)28-23-15-22(29-25(26)30-23)27-18-9-11-31(12-10-18)16-17-7-5-4-6-8-17/h4-8,13-15,18H,9-12,16H2,1-3H3,(H4,26,27,28,29,30)
InChIKeyFVDOWALQDKLPNW-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.90
Rot. Bonds9

About 4-N-(1-benzylpiperidin-4-yl)-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4,6-triamine

4-N-(1-benzylpiperidin-4-yl)-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4,6-triamine (PubChem CID 117087606) has the molecular formula C25H32N6O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is 4-N-(1-benzylpiperidin-4-yl)-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(1-benzylpiperidin-4-yl)-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4,6-triamine
PubChem CID117087606
Molecular FormulaC25H32N6O3
Molecular Weight464.57 g/mol
Exact Mass464.25
IUPAC Name4-N-(1-benzylpiperidin-4-yl)-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4,6-triamine
SMILESCOc1cc(Nc2cc(NC3CCN(Cc4ccccc4)CC3)nc(N)n2)cc(OC)c1OC
InChIInChI=1S/C25H32N6O3/c1-32-20-13-19(14-21(33-2)24(20)34-3)28-23-15-22(29-25(26)30-23)27-18-9-11-31(12-10-18)16-17-7-5-4-6-8-17/h4-8,13-15,18H,9-12,16H2,1-3H3,(H4,26,27,28,29,30)
InChIKeyFVDOWALQDKLPNW-UHFFFAOYSA-N
XLogP3.90
TPSA106.79 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-N-(1-benzylpiperidin-4-yl)-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4,6-triamine with MolForge

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Related Compounds

4-N-(1-benzylpiperidin-4-yl)-2-methoxybenzene-1,4-diamine
CID 58608359
6-chloro-4-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine
CID 55829581
1-benzyl-4-[(3,4,5-trimethoxyphenyl)methoxy]piperidine
CID 13194422
4-N-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 117085878
6-N-(1-benzylpiperidin-4-yl)-9-thiophen-3-yl-2-N-(3,4,5-trimethoxyphenyl)purine-2,6-diamine
CID 117083348
2-N-(1-benzylpiperidin-4-yl)-9-[[4-(trifluoromethyl)phenyl]methyl]-6-N-(3,4,5-trimethoxyphenyl)purine-2,6-diamine
CID 117080130
1-[2-[6-[(1-benzylpiperidin-4-yl)amino]-2-(3,4,5-trimethoxyanilino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117080041
1-[3-[[2-amino-6-[(1-benzylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117087297
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxyquinazolin-4-amine
CID 2808856
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
4-N-(1-benzylpiperidin-4-yl)-6-N-cyclopentyl-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 134107688
4-N-(1-benzylpyrrolidin-3-yl)-2-methylpyrimidine-4,6-diamine
CID 130559123

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-benzylpiperidin-4-yl)-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(1-benzylpiperidin-4-yl)-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4,6-triamine (CID 117087606) is 4-N-(1-benzylpiperidin-4-yl)-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(1-benzylpiperidin-4-yl)-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(1-benzylpiperidin-4-yl)-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4,6-triamine is COc1cc(Nc2cc(NC3CCN(Cc4ccccc4)CC3)nc(N)n2)cc(OC)c1OC.
What is the InChIKey of 4-N-(1-benzylpiperidin-4-yl)-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4,6-triamine?
The InChIKey is FVDOWALQDKLPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3/c1-32-20-13-19(14-21(33-2)24(20)34-3)28-23-15-22(29-25(26)30-23)27-18-9-11-31(12-10-18)16-17-7-5-4-6-8-17/h4-8,13-15,18H,9-12,16H2,1-3H3,(H4,26,27,28,29,30).
What are the key properties of 4-N-(1-benzylpiperidin-4-yl)-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4,6-triamine?
4-N-(1-benzylpiperidin-4-yl)-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4,6-triamine has a molecular weight of 464.57 g/mol, XLogP of 3.90, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-benzylpiperidin-4-yl)-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 117087606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).