4-N-(4-methoxy-5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine

C12H20N4O — CID 23026748

IUPAC4-N-(4-methoxy-5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine
SMILESCOc1nc(NC2CCC(N)CC2)ncc1C
InChIInChI=1S/C12H20N4O/c1-8-7-14-12(16-11(8)17-2)15-10-5-3-9(13)4-6-10/h7,9-10H,3-6,13H2,1-2H3,(H,14,15,16)
InChIKeyFIKTZVWPCBJONX-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.48
Rot. Bonds3

About 4-N-(4-methoxy-5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine

4-N-(4-methoxy-5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine (PubChem CID 23026748) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-N-(4-methoxy-5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-methoxy-5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine
PubChem CID23026748
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-N-(4-methoxy-5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine
SMILESCOc1nc(NC2CCC(N)CC2)ncc1C
InChIInChI=1S/C12H20N4O/c1-8-7-14-12(16-11(8)17-2)15-10-5-3-9(13)4-6-10/h7,9-10H,3-6,13H2,1-2H3,(H,14,15,16)
InChIKeyFIKTZVWPCBJONX-UHFFFAOYSA-N
XLogP1.48
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxy-5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(4-methoxy-5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine (CID 23026748) is 4-N-(4-methoxy-5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(4-methoxy-5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(4-methoxy-5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine is COc1nc(NC2CCC(N)CC2)ncc1C.
What is the InChIKey of 4-N-(4-methoxy-5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine?
The InChIKey is FIKTZVWPCBJONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-7-14-12(16-11(8)17-2)15-10-5-3-9(13)4-6-10/h7,9-10H,3-6,13H2,1-2H3,(H,14,15,16).
What are the key properties of 4-N-(4-methoxy-5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine?
4-N-(4-methoxy-5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxy-5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 23026748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).