4-N-(2,4-dimethoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine

C21H24N4O2 — CID 112903112

IUPAC4-N-(2,4-dimethoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2ccnc(Nc3ccccc3C(C)C)n2)c(OC)c1
InChIInChI=1S/C21H24N4O2/c1-14(2)16-7-5-6-8-17(16)24-21-22-12-11-20(25-21)23-18-10-9-15(26-3)13-19(18)27-4/h5-14H,1-4H3,(H2,22,23,24,25)
InChIKeyWVMFAVQSDNLXNH-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.10
Rot. Bonds7

About 4-N-(2,4-dimethoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine

4-N-(2,4-dimethoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 112903112) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-N-(2,4-dimethoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
PubChem CID112903112
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-N-(2,4-dimethoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2ccnc(Nc3ccccc3C(C)C)n2)c(OC)c1
InChIInChI=1S/C21H24N4O2/c1-14(2)16-7-5-6-8-17(16)24-21-22-12-11-20(25-21)23-18-10-9-15(26-3)13-19(18)27-4/h5-14H,1-4H3,(H2,22,23,24,25)
InChIKeyWVMFAVQSDNLXNH-UHFFFAOYSA-N
XLogP5.10
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2,4-dimethoxyphenyl)-6-methyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112928987
2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112903101
4-N-(2,4-dimethoxyphenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905226
2-N-(2,4-dimethoxyphenyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112903143
4-N-(3,4-dimethoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112903113
4-N-(2,4-dimethoxyphenyl)-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112905061
4-N-(2,4-dimethoxyphenyl)-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112903212
4-N-(2,4-dimethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892600
2-hydrazinyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 80920603
4-N-(3-methoxyphenyl)-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112904627
4-N-(2,4-dimethoxyphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899399
4-N-tert-butyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112899705

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,4-dimethoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine (CID 112903112) is 4-N-(2,4-dimethoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,4-dimethoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,4-dimethoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine is COc1ccc(Nc2ccnc(Nc3ccccc3C(C)C)n2)c(OC)c1.
What is the InChIKey of 4-N-(2,4-dimethoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is WVMFAVQSDNLXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14(2)16-7-5-6-8-17(16)24-21-22-12-11-20(25-21)23-18-10-9-15(26-3)13-19(18)27-4/h5-14H,1-4H3,(H2,22,23,24,25).
What are the key properties of 4-N-(2,4-dimethoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?
4-N-(2,4-dimethoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 364.45 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112903112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).