2-N-(4,6-dimethoxypyrimidin-2-yl)-2-N-methylcyclohexane-1,2-diamine

C13H22N4O2 — CID 102639464

IUPAC2-N-(4,6-dimethoxypyrimidin-2-yl)-2-N-methylcyclohexane-1,2-diamine
SMILESCOc1cc(OC)nc(N(C)C2CCCCC2N)n1
InChIInChI=1S/C13H22N4O2/c1-17(10-7-5-4-6-9(10)14)13-15-11(18-2)8-12(16-13)19-3/h8-10H,4-7,14H2,1-3H3
InChIKeyFTDOPJIADQLHHF-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.20
Rot. Bonds4

About 2-N-(4,6-dimethoxypyrimidin-2-yl)-2-N-methylcyclohexane-1,2-diamine

2-N-(4,6-dimethoxypyrimidin-2-yl)-2-N-methylcyclohexane-1,2-diamine (PubChem CID 102639464) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-N-(4,6-dimethoxypyrimidin-2-yl)-2-N-methylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4,6-dimethoxypyrimidin-2-yl)-2-N-methylcyclohexane-1,2-diamine
PubChem CID102639464
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-N-(4,6-dimethoxypyrimidin-2-yl)-2-N-methylcyclohexane-1,2-diamine
SMILESCOc1cc(OC)nc(N(C)C2CCCCC2N)n1
InChIInChI=1S/C13H22N4O2/c1-17(10-7-5-4-6-9(10)14)13-15-11(18-2)8-12(16-13)19-3/h8-10H,4-7,14H2,1-3H3
InChIKeyFTDOPJIADQLHHF-UHFFFAOYSA-N
XLogP1.20
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-methyl-2-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)cyclohexane-1,2-diamine
CID 102639492
N-(4,6-dimethoxypyrimidin-2-yl)-N-methylazepan-4-amine
CID 107174242
2-N-(4-methoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine
CID 115117860
2-N-methyl-2-N-(6-propan-2-yloxypyrimidin-4-yl)cyclohexane-1,2-diamine
CID 102639480
1-N-(4,6-dimethoxypyrimidin-2-yl)cycloheptane-1,2-diamine
CID 115355322
4,6-dimethoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-2-amine
CID 172899427
2-N-(3-ethyl-4-methoxyphenyl)-2-N-methylcyclohexane-1,2-diamine
CID 115117888
[2-(4,6-dimethoxypyrimidin-2-yl)oxycyclohexyl]methanamine
CID 115355544
1-N-(5-bromo-2-methoxyphenyl)-1-N-methylcyclopentane-1,2-diamine
CID 115117243
2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine
CID 102639912
N-[2-(aminomethyl)cyclopentyl]-4-ethoxy-N,6-dimethylpyrimidin-2-amine
CID 112635004
2-N-methyl-2-N-(1-methylimidazol-2-yl)cyclohexane-1,2-diamine
CID 102639462

Frequently Asked Questions

What is the IUPAC name of 2-N-(4,6-dimethoxypyrimidin-2-yl)-2-N-methylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-(4,6-dimethoxypyrimidin-2-yl)-2-N-methylcyclohexane-1,2-diamine (CID 102639464) is 2-N-(4,6-dimethoxypyrimidin-2-yl)-2-N-methylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(4,6-dimethoxypyrimidin-2-yl)-2-N-methylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(4,6-dimethoxypyrimidin-2-yl)-2-N-methylcyclohexane-1,2-diamine is COc1cc(OC)nc(N(C)C2CCCCC2N)n1.
What is the InChIKey of 2-N-(4,6-dimethoxypyrimidin-2-yl)-2-N-methylcyclohexane-1,2-diamine?
The InChIKey is FTDOPJIADQLHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-17(10-7-5-4-6-9(10)14)13-15-11(18-2)8-12(16-13)19-3/h8-10H,4-7,14H2,1-3H3.
What are the key properties of 2-N-(4,6-dimethoxypyrimidin-2-yl)-2-N-methylcyclohexane-1,2-diamine?
2-N-(4,6-dimethoxypyrimidin-2-yl)-2-N-methylcyclohexane-1,2-diamine has a molecular weight of 266.34 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4,6-dimethoxypyrimidin-2-yl)-2-N-methylcyclohexane-1,2-diamine is sourced from PubChem (CID 102639464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).