4-N-(2-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine

C16H22N4O — CID 112881959

IUPAC4-N-(2-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C16H22N4O/c1-4-10-17-16-18-11-9-15(20-16)19-13-7-5-6-8-14(13)21-12(2)3/h5-9,11-12H,4,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyZONLGSABCLXRIZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.83
Rot. Bonds7

About 4-N-(2-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine

4-N-(2-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 112881959) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-N-(2-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID112881959
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-N-(2-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C16H22N4O/c1-4-10-17-16-18-11-9-15(20-16)19-13-7-5-6-8-14(13)21-12(2)3/h5-9,11-12H,4,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyZONLGSABCLXRIZ-UHFFFAOYSA-N
XLogP3.83
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2-propan-2-yloxyphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881861
2-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112883088
4-N-(2-chlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 84501147
4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112905125
2-N-(2-propan-2-yloxyphenyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905145
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
4-N-(4-chlorophenyl)-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112903764
2-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295056
2-N-(3,4-difluorophenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905143
1-[4-[[4-(2-propan-2-yloxyanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112905111
4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80754827
4-N-(3-methoxyphenyl)-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112904627

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine (CID 112881959) is 4-N-(2-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1nccc(Nc2ccccc2OC(C)C)n1.
What is the InChIKey of 4-N-(2-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is ZONLGSABCLXRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-10-17-16-18-11-9-15(20-16)19-13-7-5-6-8-14(13)21-12(2)3/h5-9,11-12H,4,10H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine?
4-N-(2-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 112881959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).