4-N-benzyl-2-N-cyclopentyl-4-N-ethylpyrimidine-2,4-diamine

C18H24N4 — CID 112884331

IUPAC4-N-benzyl-2-N-cyclopentyl-4-N-ethylpyrimidine-2,4-diamine
SMILESCCN(Cc1ccccc1)c1ccnc(NC2CCCC2)n1
InChIInChI=1S/C18H24N4/c1-2-22(14-15-8-4-3-5-9-15)17-12-13-19-18(21-17)20-16-10-6-7-11-16/h3-5,8-9,12-13,16H,2,6-7,10-11,14H2,1H3,(H,19,20,21)
InChIKeyOYFBBMRKGAWTFL-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.86
Rot. Bonds6

About 4-N-benzyl-2-N-cyclopentyl-4-N-ethylpyrimidine-2,4-diamine

4-N-benzyl-2-N-cyclopentyl-4-N-ethylpyrimidine-2,4-diamine (PubChem CID 112884331) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-N-benzyl-2-N-cyclopentyl-4-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-cyclopentyl-4-N-ethylpyrimidine-2,4-diamine
PubChem CID112884331
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name4-N-benzyl-2-N-cyclopentyl-4-N-ethylpyrimidine-2,4-diamine
SMILESCCN(Cc1ccccc1)c1ccnc(NC2CCCC2)n1
InChIInChI=1S/C18H24N4/c1-2-22(14-15-8-4-3-5-9-15)17-12-13-19-18(21-17)20-16-10-6-7-11-16/h3-5,8-9,12-13,16H,2,6-7,10-11,14H2,1H3,(H,19,20,21)
InChIKeyOYFBBMRKGAWTFL-UHFFFAOYSA-N
XLogP3.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzyl-2-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine
CID 112884942
2-N-cycloheptyl-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112899961
2-N-benzyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine
CID 112882242
2-N-cyclopentyl-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112884385
4-N-benzyl-4-N-ethyl-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine
CID 112892945
4-N-benzyl-2-N-[3-(dimethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine
CID 112887748
4-N-benzyl-2-N-(3,4-dichlorophenyl)-4-N-ethylpyrimidine-2,4-diamine
CID 112892999
4-N-benzyl-2-N-(2,3-dichlorophenyl)-4-N-ethylpyrimidine-2,4-diamine
CID 112893004
4-N-benzyl-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-ethylpyrimidine-2,4-diamine
CID 112892993
N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112885264
4-N-benzyl-2-N-cyclopentyl-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112909804
2-[benzyl(ethyl)amino]-N-cyclohexylpyrimidine-4-carboxamide
CID 109298800

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-cyclopentyl-4-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-cyclopentyl-4-N-ethylpyrimidine-2,4-diamine (CID 112884331) is 4-N-benzyl-2-N-cyclopentyl-4-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-cyclopentyl-4-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-cyclopentyl-4-N-ethylpyrimidine-2,4-diamine is CCN(Cc1ccccc1)c1ccnc(NC2CCCC2)n1.
What is the InChIKey of 4-N-benzyl-2-N-cyclopentyl-4-N-ethylpyrimidine-2,4-diamine?
The InChIKey is OYFBBMRKGAWTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-2-22(14-15-8-4-3-5-9-15)17-12-13-19-18(21-17)20-16-10-6-7-11-16/h3-5,8-9,12-13,16H,2,6-7,10-11,14H2,1H3,(H,19,20,21).
What are the key properties of 4-N-benzyl-2-N-cyclopentyl-4-N-ethylpyrimidine-2,4-diamine?
4-N-benzyl-2-N-cyclopentyl-4-N-ethylpyrimidine-2,4-diamine has a molecular weight of 296.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-cyclopentyl-4-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 112884331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).