4-N-(2,4-dimethoxyphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine

C21H24N4O4 — CID 112897338

IUPAC4-N-(2,4-dimethoxyphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2ccnc(NCc3ccc(OC)c(OC)c3)n2)c(OC)c1
InChIInChI=1S/C21H24N4O4/c1-26-15-6-7-16(18(12-15)28-3)24-20-9-10-22-21(25-20)23-13-14-5-8-17(27-2)19(11-14)29-4/h5-12H,13H2,1-4H3,(H2,22,23,24,25)
InChIKeyHSODQCJPHHDGFV-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.87
Rot. Bonds9

About 4-N-(2,4-dimethoxyphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine

4-N-(2,4-dimethoxyphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 112897338) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 4-N-(2,4-dimethoxyphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethoxyphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID112897338
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name4-N-(2,4-dimethoxyphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2ccnc(NCc3ccc(OC)c(OC)c3)n2)c(OC)c1
InChIInChI=1S/C21H24N4O4/c1-26-15-6-7-16(18(12-15)28-3)24-20-9-10-22-21(25-20)23-13-14-5-8-17(27-2)19(11-14)29-4/h5-12H,13H2,1-4H3,(H2,22,23,24,25)
InChIKeyHSODQCJPHHDGFV-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

4-N-(2,4-dimethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892600
4-N-(2-chlorophenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112897320
2-N-(2,4-dimethoxyphenyl)-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890347
4-N-(2,4-dimethoxyphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899399
4-N-(4-tert-butylphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112897317
2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895133
4-N-(2,4-dimethoxyphenyl)-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112905061
4-N-(2-ethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892594
4-N-(3-chlorophenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112897321
4-N-(2,4-dimethoxyphenyl)-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112903212
5-N-(2,4-dimethoxyphenyl)-3-N-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112948814
4-N-(2,4-dimethoxyphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887531

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethoxyphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,4-dimethoxyphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 112897338) is 4-N-(2,4-dimethoxyphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,4-dimethoxyphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,4-dimethoxyphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine is COc1ccc(Nc2ccnc(NCc3ccc(OC)c(OC)c3)n2)c(OC)c1.
What is the InChIKey of 4-N-(2,4-dimethoxyphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is HSODQCJPHHDGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-26-15-6-7-16(18(12-15)28-3)24-20-9-10-22-21(25-20)23-13-14-5-8-17(27-2)19(11-14)29-4/h5-12H,13H2,1-4H3,(H2,22,23,24,25).
What are the key properties of 4-N-(2,4-dimethoxyphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine?
4-N-(2,4-dimethoxyphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]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-(2,4-dimethoxyphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112897338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).