4-N-cyclopropyl-6-N-(2,6-diethylphenyl)-2-methylpyrimidine-4,6-diamine

C18H24N4 — CID 112867547

IUPAC4-N-cyclopropyl-6-N-(2,6-diethylphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCCc1cccc(CC)c1Nc1cc(NC2CC2)nc(C)n1
InChIInChI=1S/C18H24N4/c1-4-13-7-6-8-14(5-2)18(13)22-17-11-16(19-12(3)20-17)21-15-9-10-15/h6-8,11,15H,4-5,9-10H2,1-3H3,(H2,19,20,21,22)
InChIKeyRJAHQILKBCJTAW-UHFFFAOYSA-N
MW296.42 g/mol
LogP4.23
Rot. Bonds6

About 4-N-cyclopropyl-6-N-(2,6-diethylphenyl)-2-methylpyrimidine-4,6-diamine

4-N-cyclopropyl-6-N-(2,6-diethylphenyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 112867547) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N-(2,6-diethylphenyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N-(2,6-diethylphenyl)-2-methylpyrimidine-4,6-diamine
PubChem CID112867547
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name4-N-cyclopropyl-6-N-(2,6-diethylphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCCc1cccc(CC)c1Nc1cc(NC2CC2)nc(C)n1
InChIInChI=1S/C18H24N4/c1-4-13-7-6-8-14(5-2)18(13)22-17-11-16(19-12(3)20-17)21-15-9-10-15/h6-8,11,15H,4-5,9-10H2,1-3H3,(H2,19,20,21,22)
InChIKeyRJAHQILKBCJTAW-UHFFFAOYSA-N
XLogP4.23
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopentyl-6-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112868692
4-N-(2,6-diethylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 112867244
6-N-(2,6-diethylphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 112875670
N-cyclopentyl-6-(2-ethyl-6-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 109363342
4-N-cyclopropyl-6-N-(2-ethylphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112879514
4-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine
CID 79110713
6-N-(2-bromophenyl)-4-N-cyclopropyl-2-methylpyrimidine-4,6-diamine
CID 112867600
N-butan-2-yl-6-(2,6-diethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109362604
6-(2-ethyl-6-methylanilino)-2-methylpyrimidine-4-carboxylic acid
CID 82306131
4-N-cyclopropyl-6-N-(2-ethylphenyl)pyrimidine-4,6-diamine
CID 112854775
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
ethyl 4-[[2-(2,6-diethylanilino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112897761

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N-(2,6-diethylphenyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-6-N-(2,6-diethylphenyl)-2-methylpyrimidine-4,6-diamine (CID 112867547) is 4-N-cyclopropyl-6-N-(2,6-diethylphenyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N-(2,6-diethylphenyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-N-(2,6-diethylphenyl)-2-methylpyrimidine-4,6-diamine is CCc1cccc(CC)c1Nc1cc(NC2CC2)nc(C)n1.
What is the InChIKey of 4-N-cyclopropyl-6-N-(2,6-diethylphenyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is RJAHQILKBCJTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-4-13-7-6-8-14(5-2)18(13)22-17-11-16(19-12(3)20-17)21-15-9-10-15/h6-8,11,15H,4-5,9-10H2,1-3H3,(H2,19,20,21,22).
What are the key properties of 4-N-cyclopropyl-6-N-(2,6-diethylphenyl)-2-methylpyrimidine-4,6-diamine?
4-N-cyclopropyl-6-N-(2,6-diethylphenyl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 296.42 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-N-(2,6-diethylphenyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112867547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).