4-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexane-1,4-diamine

C13H22N4O2 — CID 55062386

IUPAC4-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexane-1,4-diamine
SMILESCOc1ncnc(OC)c1CNC1CCC(N)CC1
InChIInChI=1S/C13H22N4O2/c1-18-12-11(13(19-2)17-8-16-12)7-15-10-5-3-9(14)4-6-10/h8-10,15H,3-7,14H2,1-2H3
InChIKeyKKSHZZBSGSUKNK-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.85
Rot. Bonds5

About 4-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexane-1,4-diamine

4-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexane-1,4-diamine (PubChem CID 55062386) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexane-1,4-diamine
PubChem CID55062386
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexane-1,4-diamine
SMILESCOc1ncnc(OC)c1CNC1CCC(N)CC1
InChIInChI=1S/C13H22N4O2/c1-18-12-11(13(19-2)17-8-16-12)7-15-10-5-3-9(14)4-6-10/h8-10,15H,3-7,14H2,1-2H3
InChIKeyKKSHZZBSGSUKNK-UHFFFAOYSA-N
XLogP0.85
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4,6-dimethoxypyrimidin-5-yl)-N-methylmethanamine
CID 43552092
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 43552097
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 63225939
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 105931953
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210003
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 106289263
6-methoxy-5-methyl-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine
CID 113327811
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,2-difluoroethanamine
CID 115405573
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115516016
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 115516697
cis-4-(4-Methoxy5-methyl-pyrimidin-2-ylamino)-aminocyclohexane
CID 23026748
(4,6-Dimethoxypyrimidin-5-yl)methanamine
CID 39872353

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexane-1,4-diamine (CID 55062386) is 4-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexane-1,4-diamine is COc1ncnc(OC)c1CNC1CCC(N)CC1.
What is the InChIKey of 4-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexane-1,4-diamine?
The InChIKey is KKSHZZBSGSUKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-18-12-11(13(19-2)17-8-16-12)7-15-10-5-3-9(14)4-6-10/h8-10,15H,3-7,14H2,1-2H3.
What are the key properties of 4-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexane-1,4-diamine?
4-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexane-1,4-diamine has a molecular weight of 266.34 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 55062386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).