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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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).