2-N-benzyl-4-N-cyclopentyl-2-N,6-dimethylpyrimidine-2,4-diamine

C18H24N4 — CID 112909623

IUPAC2-N-benzyl-4-N-cyclopentyl-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CCCC2)nc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C18H24N4/c1-14-12-17(20-16-10-6-7-11-16)21-18(19-14)22(2)13-15-8-4-3-5-9-15/h3-5,8-9,12,16H,6-7,10-11,13H2,1-2H3,(H,19,20,21)
InChIKeyYMGUNICZNBFMQD-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.78
Rot. Bonds5

About 2-N-benzyl-4-N-cyclopentyl-2-N,6-dimethylpyrimidine-2,4-diamine

2-N-benzyl-4-N-cyclopentyl-2-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 112909623) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-N-benzyl-4-N-cyclopentyl-2-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-4-N-cyclopentyl-2-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID112909623
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name2-N-benzyl-4-N-cyclopentyl-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CCCC2)nc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C18H24N4/c1-14-12-17(20-16-10-6-7-11-16)21-18(19-14)22(2)13-15-8-4-3-5-9-15/h3-5,8-9,12,16H,6-7,10-11,13H2,1-2H3,(H,19,20,21)
InChIKeyYMGUNICZNBFMQD-UHFFFAOYSA-N
XLogP3.78
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-benzyl-4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112910397
2-N-benzyl-4-N-cyclopentyl-2-N-methylpyrimidine-2,4-diamine
CID 112884136
N-benzyl-N,4,6-trimethylpyrimidin-2-amine
CID 734467
4-N-benzyl-2-N-cyclopentyl-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112909804
2-[benzyl(methyl)amino]-N-cyclohexyl-6-methylpyrimidine-4-carboxamide
CID 109322795
2-N-benzyl-4-N-[2-(dimethylamino)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112912774
4-N-cyclopentyl-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112909680
4-[[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 166329636
2-N-benzyl-4-N-(3-bromophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112917161
2-N-benzyl-2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112917144
2-N-benzyl-4-N-[2-(3-chlorophenyl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112917093
4-N-benzyl-2-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine
CID 112884942

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-cyclopentyl-2-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-4-N-cyclopentyl-2-N,6-dimethylpyrimidine-2,4-diamine (CID 112909623) is 2-N-benzyl-4-N-cyclopentyl-2-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-4-N-cyclopentyl-2-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-4-N-cyclopentyl-2-N,6-dimethylpyrimidine-2,4-diamine is Cc1cc(NC2CCCC2)nc(N(C)Cc2ccccc2)n1.
What is the InChIKey of 2-N-benzyl-4-N-cyclopentyl-2-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is YMGUNICZNBFMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-14-12-17(20-16-10-6-7-11-16)21-18(19-14)22(2)13-15-8-4-3-5-9-15/h3-5,8-9,12,16H,6-7,10-11,13H2,1-2H3,(H,19,20,21).
What are the key properties of 2-N-benzyl-4-N-cyclopentyl-2-N,6-dimethylpyrimidine-2,4-diamine?
2-N-benzyl-4-N-cyclopentyl-2-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 296.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4-N-cyclopentyl-2-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 112909623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).