1-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine

C11H17N3O — CID 105460761

IUPAC1-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine
SMILESCC(N)c1ncc(C2CCOCC2)cn1
InChIInChI=1S/C11H17N3O/c1-8(12)11-13-6-10(7-14-11)9-2-4-15-5-3-9/h6-9H,2-5,12H2,1H3
InChIKeyNDIQLTLHHIOVRF-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.39
Rot. Bonds2

About 1-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine

1-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine (PubChem CID 105460761) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine
PubChem CID105460761
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine
SMILESCC(N)c1ncc(C2CCOCC2)cn1
InChIInChI=1S/C11H17N3O/c1-8(12)11-13-6-10(7-14-11)9-2-4-15-5-3-9/h6-9H,2-5,12H2,1H3
InChIKeyNDIQLTLHHIOVRF-UHFFFAOYSA-N
XLogP1.39
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(oxan-4-yl)-2-propan-2-ylpyridin-3-amine
CID 83917616
2-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine
CID 83916591
1-(5-fluoropyrimidin-2-yl)ethanamine
CID 50994814
5-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 171390475
2,2-dimethyl-1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62905005
1-[3-(oxan-4-yl)phenyl]propan-2-amine
CID 117313397
(1R)-1-pyrimidin-2-ylethanamine;hydrochloride
CID 146680703
2-(1-chloroethyl)-5-(oxan-4-yl)-1,3-oxazole
CID 65180223
2-[5-(oxolan-3-yl)pyrimidin-2-yl]ethanamine
CID 105487369
1-(5-tert-butylpyrimidin-2-yl)ethanamine
CID 55263917
1-[[5-(oxan-4-yl)pyrimidin-2-yl]amino]propan-2-one
CID 116975899
3-methyl-5-(oxan-4-yl)pyridine-2-carboxylic acid
CID 171365286

Frequently Asked Questions

What is the IUPAC name of 1-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine?
The IUPAC name of 1-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine (CID 105460761) is 1-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine?
The canonical SMILES for 1-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine is CC(N)c1ncc(C2CCOCC2)cn1.
What is the InChIKey of 1-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine?
The InChIKey is NDIQLTLHHIOVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(12)11-13-6-10(7-14-11)9-2-4-15-5-3-9/h6-9H,2-5,12H2,1H3.
What are the key properties of 1-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine?
1-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine has a molecular weight of 207.28 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine is sourced from PubChem (CID 105460761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).