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

C17H24N4 — CID 112881957

IUPAC4-N-(2-methyl-6-propan-2-ylphenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(Nc2c(C)cccc2C(C)C)n1
InChIInChI=1S/C17H24N4/c1-5-10-18-17-19-11-9-15(21-17)20-16-13(4)7-6-8-14(16)12(2)3/h6-9,11-12H,5,10H2,1-4H3,(H2,18,19,20,21)
InChIKeyGRVFCQTUOZGZIE-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.47
Rot. Bonds6

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

4-N-(2-methyl-6-propan-2-ylphenyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 112881957) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-N-(2-methyl-6-propan-2-ylphenyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methyl-6-propan-2-ylphenyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID112881957
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N-(2-methyl-6-propan-2-ylphenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(Nc2c(C)cccc2C(C)C)n1
InChIInChI=1S/C17H24N4/c1-5-10-18-17-19-11-9-15(21-17)20-16-13(4)7-6-8-14(16)12(2)3/h6-9,11-12H,5,10H2,1-4H3,(H2,18,19,20,21)
InChIKeyGRVFCQTUOZGZIE-UHFFFAOYSA-N
XLogP4.47
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(2-methyl-6-propan-2-ylphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938601
2-N-(4-ethoxyphenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112903272
4-N-tert-butyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112899709
2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 112867245
4-N-[2,6-di(propan-2-yl)phenyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887559
4-N-[4-(dimethylamino)phenyl]-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112903306
6-methyl-2-N-(3-methylbutyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112925285
2-(butylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109296413
2-N-butyl-4-N-(2,6-dichlorophenyl)pyrimidine-2,4-diamine
CID 112883132
4-N-(3-ethylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80761889
4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80754827
4-N-[3-(dimethylamino)butyl]-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine
CID 23653229

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methyl-6-propan-2-ylphenyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-methyl-6-propan-2-ylphenyl)-2-N-propylpyrimidine-2,4-diamine (CID 112881957) is 4-N-(2-methyl-6-propan-2-ylphenyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-methyl-6-propan-2-ylphenyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-methyl-6-propan-2-ylphenyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1nccc(Nc2c(C)cccc2C(C)C)n1.
What is the InChIKey of 4-N-(2-methyl-6-propan-2-ylphenyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is GRVFCQTUOZGZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-5-10-18-17-19-11-9-15(21-17)20-16-13(4)7-6-8-14(16)12(2)3/h6-9,11-12H,5,10H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2-methyl-6-propan-2-ylphenyl)-2-N-propylpyrimidine-2,4-diamine?
4-N-(2-methyl-6-propan-2-ylphenyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 284.41 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methyl-6-propan-2-ylphenyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 112881957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).