4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4,6-triamine

C12H21N5 — CID 80799744

IUPAC4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4,6-triamine
SMILESCC1CCC(N(C)c2cc(N)nc(N)n2)CC1
InChIInChI=1S/C12H21N5/c1-8-3-5-9(6-4-8)17(2)11-7-10(13)15-12(14)16-11/h7-9H,3-6H2,1-2H3,(H4,13,14,15,16)
InChIKeyLKROZUFUNJUNJS-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.66
Rot. Bonds2

About 4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4,6-triamine

4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4,6-triamine (PubChem CID 80799744) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4,6-triamine
PubChem CID80799744
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4,6-triamine
SMILESCC1CCC(N(C)c2cc(N)nc(N)n2)CC1
InChIInChI=1S/C12H21N5/c1-8-3-5-9(6-4-8)17(2)11-7-10(13)15-12(14)16-11/h7-9H,3-6H2,1-2H3,(H4,13,14,15,16)
InChIKeyLKROZUFUNJUNJS-UHFFFAOYSA-N
XLogP1.66
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80788881
6-methoxy-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine
CID 113268090
2-N-methyl-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine
CID 140510686
4-N-cyclopropyl-2-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80933693
4-N,4-N-dimethylpyrimidine-2,4,6-triamine
CID 23423800
2-N,6-dimethyl-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 112746078
2-tert-butyl-6-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80963761
4-N-(4-ethylcyclohexyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 80809163
4-N-cycloheptyl-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80899128
4-N-(4-ethylcyclohexyl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80896120
4-N-cyclopropyl-4-N-methylpyrimidine-2,4-diamine
CID 70499830
4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-2,4,6-triamine
CID 80761777

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4,6-triamine (CID 80799744) is 4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4,6-triamine is CC1CCC(N(C)c2cc(N)nc(N)n2)CC1.
What is the InChIKey of 4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4,6-triamine?
The InChIKey is LKROZUFUNJUNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-8-3-5-9(6-4-8)17(2)11-7-10(13)15-12(14)16-11/h7-9H,3-6H2,1-2H3,(H4,13,14,15,16).
What are the key properties of 4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4,6-triamine?
4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4,6-triamine has a molecular weight of 235.33 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80799744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).