(1-methoxy-4-methylcyclohexyl)-pyrimidin-5-ylmethanamine

C13H21N3O — CID 116766074

IUPAC(1-methoxy-4-methylcyclohexyl)-pyrimidin-5-ylmethanamine
SMILESCOC1(C(N)c2cncnc2)CCC(C)CC1
InChIInChI=1S/C13H21N3O/c1-10-3-5-13(17-2,6-4-10)12(14)11-7-15-9-16-8-11/h7-10,12H,3-6,14H2,1-2H3
InChIKeyWUARNUNILIXHBD-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.07
Rot. Bonds3

About (1-methoxy-4-methylcyclohexyl)-pyrimidin-5-ylmethanamine

(1-methoxy-4-methylcyclohexyl)-pyrimidin-5-ylmethanamine (PubChem CID 116766074) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (1-methoxy-4-methylcyclohexyl)-pyrimidin-5-ylmethanamine.

Molecular Properties

Compound Name(1-methoxy-4-methylcyclohexyl)-pyrimidin-5-ylmethanamine
PubChem CID116766074
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(1-methoxy-4-methylcyclohexyl)-pyrimidin-5-ylmethanamine
SMILESCOC1(C(N)c2cncnc2)CCC(C)CC1
InChIInChI=1S/C13H21N3O/c1-10-3-5-13(17-2,6-4-10)12(14)11-7-15-9-16-8-11/h7-10,12H,3-6,14H2,1-2H3
InChIKeyWUARNUNILIXHBD-UHFFFAOYSA-N
XLogP2.07
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methoxycycloheptyl)-pyrimidin-5-ylmethanamine
CID 116769740
(1-methoxy-4-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 116766242
(1-methoxy-4-methylcyclohexyl)-(5-propoxy-3-pyridinyl)methanamine
CID 116766241
(1-methoxy-4-methylcyclohexyl)-(3-propan-2-yloxyphenyl)methanamine
CID 116766270
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 116767095
1-(1-methoxy-4-methylcyclohexyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 116766472
N-[(1-ethoxy-4-methylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine
CID 116767269
1-[amino(pyrimidin-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074760
(1-methoxy-4,4-dimethylcyclohexyl)-(5-methoxy-3-pyridinyl)methanamine
CID 116769046
(2,3-difluoro-4-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanamine
CID 107513888
1-(1-methoxy-4-methylcyclohexyl)-2-methylpropan-1-amine
CID 116766221
(4-chloro-1-propylpyrazol-5-yl)-(1-methoxy-4-methylcyclohexyl)methanamine
CID 114661932

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-4-methylcyclohexyl)-pyrimidin-5-ylmethanamine?
The IUPAC name of (1-methoxy-4-methylcyclohexyl)-pyrimidin-5-ylmethanamine (CID 116766074) is (1-methoxy-4-methylcyclohexyl)-pyrimidin-5-ylmethanamine.
What is the SMILES notation for (1-methoxy-4-methylcyclohexyl)-pyrimidin-5-ylmethanamine?
The canonical SMILES for (1-methoxy-4-methylcyclohexyl)-pyrimidin-5-ylmethanamine is COC1(C(N)c2cncnc2)CCC(C)CC1.
What is the InChIKey of (1-methoxy-4-methylcyclohexyl)-pyrimidin-5-ylmethanamine?
The InChIKey is WUARNUNILIXHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-3-5-13(17-2,6-4-10)12(14)11-7-15-9-16-8-11/h7-10,12H,3-6,14H2,1-2H3.
What are the key properties of (1-methoxy-4-methylcyclohexyl)-pyrimidin-5-ylmethanamine?
(1-methoxy-4-methylcyclohexyl)-pyrimidin-5-ylmethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-4-methylcyclohexyl)-pyrimidin-5-ylmethanamine is sourced from PubChem (CID 116766074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).