(1-methoxycycloheptyl)-pyrimidin-5-ylmethanamine

C13H21N3O — CID 116769740

IUPAC(1-methoxycycloheptyl)-pyrimidin-5-ylmethanamine
SMILESCOC1(C(N)c2cncnc2)CCCCCC1
InChIInChI=1S/C13H21N3O/c1-17-13(6-4-2-3-5-7-13)12(14)11-8-15-10-16-9-11/h8-10,12H,2-7,14H2,1H3
InChIKeyZUIVAMHFUPFPOA-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.22
Rot. Bonds3

About (1-methoxycycloheptyl)-pyrimidin-5-ylmethanamine

(1-methoxycycloheptyl)-pyrimidin-5-ylmethanamine (PubChem CID 116769740) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (1-methoxycycloheptyl)-pyrimidin-5-ylmethanamine.

Molecular Properties

Compound Name(1-methoxycycloheptyl)-pyrimidin-5-ylmethanamine
PubChem CID116769740
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(1-methoxycycloheptyl)-pyrimidin-5-ylmethanamine
SMILESCOC1(C(N)c2cncnc2)CCCCCC1
InChIInChI=1S/C13H21N3O/c1-17-13(6-4-2-3-5-7-13)12(14)11-8-15-10-16-9-11/h8-10,12H,2-7,14H2,1H3
InChIKeyZUIVAMHFUPFPOA-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methoxy-4-methylcyclohexyl)-pyrimidin-5-ylmethanamine
CID 116766074
1-[amino(pyrimidin-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066212
(3,5-dimethylphenyl)-(1-methoxycycloheptyl)methanamine
CID 116769915
(1-ethylcyclopentyl)-pyrimidin-5-ylmethanamine
CID 115827431
(3,5-dimethoxyphenyl)-(1-methoxycyclopentyl)methanamine
CID 104610743
3-[amino-(1-methoxycycloheptyl)methyl]pyridin-4-amine
CID 116769953
(1-methoxy-4,4-dimethylcyclohexyl)-(5-methoxy-3-pyridinyl)methanamine
CID 116769046
(1-methoxycycloheptyl)-(3-methylphenyl)methanamine
CID 116769914
(1-methoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783739
(1-ethoxycycloheptyl)-(5-methoxy-3-pyridinyl)methanamine
CID 116770623
[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105275994
(1-methoxycycloheptyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114662048

Frequently Asked Questions

What is the IUPAC name of (1-methoxycycloheptyl)-pyrimidin-5-ylmethanamine?
The IUPAC name of (1-methoxycycloheptyl)-pyrimidin-5-ylmethanamine (CID 116769740) is (1-methoxycycloheptyl)-pyrimidin-5-ylmethanamine.
What is the SMILES notation for (1-methoxycycloheptyl)-pyrimidin-5-ylmethanamine?
The canonical SMILES for (1-methoxycycloheptyl)-pyrimidin-5-ylmethanamine is COC1(C(N)c2cncnc2)CCCCCC1.
What is the InChIKey of (1-methoxycycloheptyl)-pyrimidin-5-ylmethanamine?
The InChIKey is ZUIVAMHFUPFPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-17-13(6-4-2-3-5-7-13)12(14)11-8-15-10-16-9-11/h8-10,12H,2-7,14H2,1H3.
What are the key properties of (1-methoxycycloheptyl)-pyrimidin-5-ylmethanamine?
(1-methoxycycloheptyl)-pyrimidin-5-ylmethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycycloheptyl)-pyrimidin-5-ylmethanamine is sourced from PubChem (CID 116769740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).