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

C21H24N4O4 — CID 112892502

IUPAC4-N-[(4-methoxyphenyl)methyl]-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2ccnc(Nc3cc(OC)c(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C21H24N4O4/c1-26-16-7-5-14(6-8-16)13-23-19-9-10-22-21(25-19)24-15-11-17(27-2)20(29-4)18(12-15)28-3/h5-12H,13H2,1-4H3,(H2,22,23,24,25)
InChIKeyVLCOJICQVLDPGE-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.87
Rot. Bonds9

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

4-N-[(4-methoxyphenyl)methyl]-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112892502) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 4-N-[(4-methoxyphenyl)methyl]-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-methoxyphenyl)methyl]-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112892502
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name4-N-[(4-methoxyphenyl)methyl]-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2ccnc(Nc3cc(OC)c(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C21H24N4O4/c1-26-16-7-5-14(6-8-16)13-23-19-9-10-22-21(25-19)24-15-11-17(27-2)20(29-4)18(12-15)28-3/h5-12H,13H2,1-4H3,(H2,22,23,24,25)
InChIKeyVLCOJICQVLDPGE-UHFFFAOYSA-N
XLogP3.87
TPSA86.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-N-[(4-methoxyphenyl)methyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890248
2-N-(2,4-dimethoxyphenyl)-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890347
4-N-(2,4-dimethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892600
4-[[4-[(4-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]benzonitrile
CID 112892516
2-N-(2,5-dimethoxyphenyl)-4-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891459
2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 18520488
2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892411
methyl 3-[[4-[(4-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]benzoate
CID 112892481
2-N-(2,4-dimethylphenyl)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892431
2-N-butyl-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112883016
2-N-[(4-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883171
5-N-[(4-methylphenyl)methyl]-3-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112948682

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-methoxyphenyl)methyl]-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(4-methoxyphenyl)methyl]-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine (CID 112892502) is 4-N-[(4-methoxyphenyl)methyl]-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(4-methoxyphenyl)methyl]-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(4-methoxyphenyl)methyl]-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine is COc1ccc(CNc2ccnc(Nc3cc(OC)c(OC)c(OC)c3)n2)cc1.
What is the InChIKey of 4-N-[(4-methoxyphenyl)methyl]-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is VLCOJICQVLDPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-26-16-7-5-14(6-8-16)13-23-19-9-10-22-21(25-19)24-15-11-17(27-2)20(29-4)18(12-15)28-3/h5-12H,13H2,1-4H3,(H2,22,23,24,25).
What are the key properties of 4-N-[(4-methoxyphenyl)methyl]-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
4-N-[(4-methoxyphenyl)methyl]-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 396.45 g/mol, XLogP of 3.87, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-methoxyphenyl)methyl]-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112892502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).