[1-(4-cyclopropyl-2-methoxypyrimidin-5-yl)cyclohexyl]methanamine

C15H23N3O — CID 82666210

IUPAC[1-(4-cyclopropyl-2-methoxypyrimidin-5-yl)cyclohexyl]methanamine
SMILESCOc1ncc(C2(CN)CCCCC2)c(C2CC2)n1
InChIInChI=1S/C15H23N3O/c1-19-14-17-9-12(13(18-14)11-5-6-11)15(10-16)7-3-2-4-8-15/h9,11H,2-8,10,16H2,1H3
InChIKeyDTHKLOLZRFBNPN-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.52
Rot. Bonds4

About [1-(4-cyclopropyl-2-methoxypyrimidin-5-yl)cyclohexyl]methanamine

[1-(4-cyclopropyl-2-methoxypyrimidin-5-yl)cyclohexyl]methanamine (PubChem CID 82666210) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is [1-(4-cyclopropyl-2-methoxypyrimidin-5-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(4-cyclopropyl-2-methoxypyrimidin-5-yl)cyclohexyl]methanamine
PubChem CID82666210
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name[1-(4-cyclopropyl-2-methoxypyrimidin-5-yl)cyclohexyl]methanamine
SMILESCOc1ncc(C2(CN)CCCCC2)c(C2CC2)n1
InChIInChI=1S/C15H23N3O/c1-19-14-17-9-12(13(18-14)11-5-6-11)15(10-16)7-3-2-4-8-15/h9,11H,2-8,10,16H2,1H3
InChIKeyDTHKLOLZRFBNPN-UHFFFAOYSA-N
XLogP2.52
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-cyclopropyl-2-methoxypyrimidin-5-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(4-cyclopropyl-2-methoxypyrimidin-5-yl)cyclohexyl]methanamine (CID 82666210) is [1-(4-cyclopropyl-2-methoxypyrimidin-5-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(4-cyclopropyl-2-methoxypyrimidin-5-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(4-cyclopropyl-2-methoxypyrimidin-5-yl)cyclohexyl]methanamine is COc1ncc(C2(CN)CCCCC2)c(C2CC2)n1.
What is the InChIKey of [1-(4-cyclopropyl-2-methoxypyrimidin-5-yl)cyclohexyl]methanamine?
The InChIKey is DTHKLOLZRFBNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-19-14-17-9-12(13(18-14)11-5-6-11)15(10-16)7-3-2-4-8-15/h9,11H,2-8,10,16H2,1H3.
What are the key properties of [1-(4-cyclopropyl-2-methoxypyrimidin-5-yl)cyclohexyl]methanamine?
[1-(4-cyclopropyl-2-methoxypyrimidin-5-yl)cyclohexyl]methanamine has a molecular weight of 261.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-cyclopropyl-2-methoxypyrimidin-5-yl)cyclohexyl]methanamine is sourced from PubChem (CID 82666210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).