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

C18H26N4 — CID 112867245

IUPAC2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2c(C)cccc2C(C)C)nc(C)n1
InChIInChI=1S/C18H26N4/c1-6-10-19-16-11-17(21-14(5)20-16)22-18-13(4)8-7-9-15(18)12(2)3/h7-9,11-12H,6,10H2,1-5H3,(H2,19,20,21,22)
InChIKeyZCNKLQQFEJRWJW-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.78
Rot. Bonds6

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

2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 112867245) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID112867245
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2c(C)cccc2C(C)C)nc(C)n1
InChIInChI=1S/C18H26N4/c1-6-10-19-16-11-17(21-14(5)20-16)22-18-13(4)8-7-9-15(18)12(2)3/h7-9,11-12H,6,10H2,1-5H3,(H2,19,20,21,22)
InChIKeyZCNKLQQFEJRWJW-UHFFFAOYSA-N
XLogP4.78
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868133
2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112873280
4-N-(2-methyl-6-propan-2-ylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112881957
4-N-(2,6-diethylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 112867244
5-N-(2-methyl-6-propan-2-ylphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938601
2-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80783678
2-methyl-6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112876263
2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112869912
6-methyl-2-N-(3-methylbutyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112925285
6-N-(3-methoxypropyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112856928
4-N-(2-methoxyethyl)-6-methyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112911418
2-methyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80849853

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-propylpyrimidine-4,6-diamine (CID 112867245) is 2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(Nc2c(C)cccc2C(C)C)nc(C)n1.
What is the InChIKey of 2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is ZCNKLQQFEJRWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-6-10-19-16-11-17(21-14(5)20-16)22-18-13(4)8-7-9-15(18)12(2)3/h7-9,11-12H,6,10H2,1-5H3,(H2,19,20,21,22).
What are the key properties of 2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-propylpyrimidine-4,6-diamine?
2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 298.43 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 112867245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).