2-cyclohexyl-1-pyrimidin-2-ylethanamine

C12H19N3 — CID 54593473

IUPAC2-cyclohexyl-1-pyrimidin-2-ylethanamine
SMILESNC(CC1CCCCC1)c1ncccn1
InChIInChI=1S/C12H19N3/c13-11(12-14-7-4-8-15-12)9-10-5-2-1-3-6-10/h4,7-8,10-11H,1-3,5-6,9,13H2
InChIKeyQMDNROCGZJLYHP-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.45
Rot. Bonds3

About 2-cyclohexyl-1-pyrimidin-2-ylethanamine

2-cyclohexyl-1-pyrimidin-2-ylethanamine (PubChem CID 54593473) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 2-cyclohexyl-1-pyrimidin-2-ylethanamine.

Molecular Properties

Compound Name2-cyclohexyl-1-pyrimidin-2-ylethanamine
PubChem CID54593473
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name2-cyclohexyl-1-pyrimidin-2-ylethanamine
SMILESNC(CC1CCCCC1)c1ncccn1
InChIInChI=1S/C12H19N3/c13-11(12-14-7-4-8-15-12)9-10-5-2-1-3-6-10/h4,7-8,10-11H,1-3,5-6,9,13H2
InChIKeyQMDNROCGZJLYHP-UHFFFAOYSA-N
XLogP2.45
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-pyrimidin-2-ylethanamine?
The IUPAC name of 2-cyclohexyl-1-pyrimidin-2-ylethanamine (CID 54593473) is 2-cyclohexyl-1-pyrimidin-2-ylethanamine.
What is the SMILES notation for 2-cyclohexyl-1-pyrimidin-2-ylethanamine?
The canonical SMILES for 2-cyclohexyl-1-pyrimidin-2-ylethanamine is NC(CC1CCCCC1)c1ncccn1.
What is the InChIKey of 2-cyclohexyl-1-pyrimidin-2-ylethanamine?
The InChIKey is QMDNROCGZJLYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c13-11(12-14-7-4-8-15-12)9-10-5-2-1-3-6-10/h4,7-8,10-11H,1-3,5-6,9,13H2.
What are the key properties of 2-cyclohexyl-1-pyrimidin-2-ylethanamine?
2-cyclohexyl-1-pyrimidin-2-ylethanamine has a molecular weight of 205.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-pyrimidin-2-ylethanamine is sourced from PubChem (CID 54593473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).