2-N-benzyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine

C21H24N4O3 — CID 23452352

IUPAC2-N-benzyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(NCc3ccccc3)nc2N)cc(OC)c1OC
InChIInChI=1S/C21H24N4O3/c1-26-17-10-15(11-18(27-2)19(17)28-3)9-16-13-24-21(25-20(16)22)23-12-14-7-5-4-6-8-14/h4-8,10-11,13H,9,12H2,1-3H3,(H3,22,23,24,25)
InChIKeyQGINLKLHYGYAFA-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.29
Rot. Bonds8

About 2-N-benzyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine

2-N-benzyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 23452352) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-N-benzyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID23452352
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-N-benzyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(NCc3ccccc3)nc2N)cc(OC)c1OC
InChIInChI=1S/C21H24N4O3/c1-26-17-10-15(11-18(27-2)19(17)28-3)9-16-13-24-21(25-20(16)22)23-12-14-7-5-4-6-8-14/h4-8,10-11,13H,9,12H2,1-3H3,(H3,22,23,24,25)
InChIKeyQGINLKLHYGYAFA-UHFFFAOYSA-N
XLogP3.29
TPSA91.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-benzyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine 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

2-N-benzyl-5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]pyrimidine-2,4-diamine
CID 11675544
2-N-(prop-2-enoxymethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 23452389
2-N-benzyl-5-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]pyrimidine-2,4-diamine
CID 59598548
benzoic acid;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 71329105
N-[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]-2-(1-methoxyethoxy)acetamide
CID 70591737
2-N-benzyl-5-(4,5-dimethoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
CID 59598713
3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenoxy]-2,2-dimethylpropanoic acid
CID 44531822
2-N-[1-(4-pyridin-3-ylpiperidin-1-ium-1-ylidene)ethyl]-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 20536399
5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine
CID 14042005
5-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 12752253
[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]methanol
CID 70937972
(3Z)-3-[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]imino-1H-indol-2-one
CID 135862848

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 23452352) is 2-N-benzyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine is COc1cc(Cc2cnc(NCc3ccccc3)nc2N)cc(OC)c1OC.
What is the InChIKey of 2-N-benzyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is QGINLKLHYGYAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-26-17-10-15(11-18(27-2)19(17)28-3)9-16-13-24-21(25-20(16)22)23-12-14-7-5-4-6-8-14/h4-8,10-11,13H,9,12H2,1-3H3,(H3,22,23,24,25).
What are the key properties of 2-N-benzyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine?
2-N-benzyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 380.45 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 23452352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).