4-N-(5,6-dimethylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine

C13H22N4 — CID 123532821

IUPAC4-N-(5,6-dimethylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine
SMILESCNC1CCC(Nc2ncnc(C)c2C)CC1
InChIInChI=1S/C13H22N4/c1-9-10(2)15-8-16-13(9)17-12-6-4-11(14-3)5-7-12/h8,11-12,14H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyZDDZPOYKZRNJBS-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.04
Rot. Bonds3

About 4-N-(5,6-dimethylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine

4-N-(5,6-dimethylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine (PubChem CID 123532821) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-N-(5,6-dimethylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(5,6-dimethylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine
PubChem CID123532821
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-N-(5,6-dimethylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine
SMILESCNC1CCC(Nc2ncnc(C)c2C)CC1
InChIInChI=1S/C13H22N4/c1-9-10(2)15-8-16-13(9)17-12-6-4-11(14-3)5-7-12/h8,11-12,14H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyZDDZPOYKZRNJBS-UHFFFAOYSA-N
XLogP2.04
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994950
2-N-cyclohexyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 46225981
4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 46226008
5-Iodo-6-methyl-n4-pentylpyrimidine-2,4-diamine
CID 68417258
4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine
CID 135271001
4-N-butyl-5-ethyl-6-methylpyrimidine-2,4-diamine
CID 135271011
4-N-butyl-6-methyl-5-(3-piperidin-1-ylprop-1-ynyl)pyrimidine-2,4-diamine
CID 135271013
4-N-butyl-6-methyl-5-pent-1-ynylpyrimidine-2,4-diamine
CID 135271020
4-N-butyl-5-ethynyl-6-methylpyrimidine-2,4-diamine
CID 135271027
N-(2-amino-5-iodo-6-methyl-4-pyrimidinyl)-N-hexylamine
CID 134093521
4,5-dimethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 127050018
Pyrimidine, 2-amino-4-(gamma-diethylaminopropylamino)-5,6-dimethyl-
CID 114146

Frequently Asked Questions

What is the IUPAC name of 4-N-(5,6-dimethylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(5,6-dimethylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine (CID 123532821) is 4-N-(5,6-dimethylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(5,6-dimethylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(5,6-dimethylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine is CNC1CCC(Nc2ncnc(C)c2C)CC1.
What is the InChIKey of 4-N-(5,6-dimethylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine?
The InChIKey is ZDDZPOYKZRNJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-9-10(2)15-8-16-13(9)17-12-6-4-11(14-3)5-7-12/h8,11-12,14H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of 4-N-(5,6-dimethylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine?
4-N-(5,6-dimethylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5,6-dimethylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 123532821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).