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

C17H24N4O — CID 112907048

IUPAC6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C17H24N4O/c1-5-10-18-17-19-13(4)11-16(21-17)20-14-6-8-15(9-7-14)22-12(2)3/h6-9,11-12H,5,10H2,1-4H3,(H2,18,19,20,21)
InChIKeyHEJOLZVSGNITPA-UHFFFAOYSA-N
MW300.41 g/mol
LogP4.14
Rot. Bonds7

About 6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine

6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 112907048) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID112907048
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C17H24N4O/c1-5-10-18-17-19-13(4)11-16(21-17)20-14-6-8-15(9-7-14)22-12(2)3/h6-9,11-12H,5,10H2,1-4H3,(H2,18,19,20,21)
InChIKeyHEJOLZVSGNITPA-UHFFFAOYSA-N
XLogP4.14
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80762323
2-N-(furan-2-ylmethyl)-6-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112915397
6-methyl-N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide
CID 109318997
4-[[6-methyl-2-(4-propan-2-yloxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113194360
4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112921346
4,6-dimethyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride
CID 18590620
4-N-(4-ethoxyphenyl)-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908783
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide
CID 121075422
6-methyl-2-(4-propan-2-yloxyphenyl)-N-propylpyrimidin-4-amine
CID 63485807
2-N-(4-ethoxyphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906938
6-methyl-4-N-(2-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112927032
6-methyl-2-N-(3-methylbutyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112925268

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine (CID 112907048) is 6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(C)cc(Nc2ccc(OC(C)C)cc2)n1.
What is the InChIKey of 6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is HEJOLZVSGNITPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-5-10-18-17-19-13(4)11-16(21-17)20-14-6-8-15(9-7-14)22-12(2)3/h6-9,11-12H,5,10H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine?
6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 300.41 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 112907048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).