4-N-(6-methoxypyrimidin-4-yl)cyclohexane-1,4-diamine

C11H18N4O — CID 66318521

IUPAC4-N-(6-methoxypyrimidin-4-yl)cyclohexane-1,4-diamine
SMILESCOc1cc(NC2CCC(N)CC2)ncn1
InChIInChI=1S/C11H18N4O/c1-16-11-6-10(13-7-14-11)15-9-4-2-8(12)3-5-9/h6-9H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyZLKCKJJSWBWQHG-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.17
Rot. Bonds3

About 4-N-(6-methoxypyrimidin-4-yl)cyclohexane-1,4-diamine

4-N-(6-methoxypyrimidin-4-yl)cyclohexane-1,4-diamine (PubChem CID 66318521) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-N-(6-methoxypyrimidin-4-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(6-methoxypyrimidin-4-yl)cyclohexane-1,4-diamine
PubChem CID66318521
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-N-(6-methoxypyrimidin-4-yl)cyclohexane-1,4-diamine
SMILESCOc1cc(NC2CCC(N)CC2)ncn1
InChIInChI=1S/C11H18N4O/c1-16-11-6-10(13-7-14-11)15-9-4-2-8(12)3-5-9/h6-9H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyZLKCKJJSWBWQHG-UHFFFAOYSA-N
XLogP1.17
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
CID 66319414
N-[(4-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine
CID 114147282
N-(3,5-dimethylcyclohexyl)-6-methoxypyrimidin-4-amine
CID 66326824
N-(azetidin-3-yl)-6-methoxypyrimidin-4-amine
CID 66319421
cis-(1R,3S)-3-[(6-methoxypyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 106322063
6-methoxy-N-(oxan-3-yl)pyrimidin-4-amine
CID 66327033
6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888036
3-(6-methoxypyrimidin-4-yl)oxycyclopentan-1-amine
CID 79465940
N-[(3-aminocyclopentyl)methyl]-6-methoxypyrimidin-4-amine
CID 106126816
6-methoxy-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126888329
N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888037
N-(1-but-2-ynylpiperidin-4-yl)-6-methoxypyrimidin-4-amine
CID 165432113

Frequently Asked Questions

What is the IUPAC name of 4-N-(6-methoxypyrimidin-4-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(6-methoxypyrimidin-4-yl)cyclohexane-1,4-diamine (CID 66318521) is 4-N-(6-methoxypyrimidin-4-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(6-methoxypyrimidin-4-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(6-methoxypyrimidin-4-yl)cyclohexane-1,4-diamine is COc1cc(NC2CCC(N)CC2)ncn1.
What is the InChIKey of 4-N-(6-methoxypyrimidin-4-yl)cyclohexane-1,4-diamine?
The InChIKey is ZLKCKJJSWBWQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-16-11-6-10(13-7-14-11)15-9-4-2-8(12)3-5-9/h6-9H,2-5,12H2,1H3,(H,13,14,15).
What are the key properties of 4-N-(6-methoxypyrimidin-4-yl)cyclohexane-1,4-diamine?
4-N-(6-methoxypyrimidin-4-yl)cyclohexane-1,4-diamine has a molecular weight of 222.29 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-methoxypyrimidin-4-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 66318521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).