1-(6-ethyl-5-methoxypyrimidin-4-yl)ethanamine

C9H15N3O — CID 82654534

IUPAC1-(6-ethyl-5-methoxypyrimidin-4-yl)ethanamine
SMILESCCc1ncnc(C(C)N)c1OC
InChIInChI=1S/C9H15N3O/c1-4-7-9(13-3)8(6(2)10)12-5-11-7/h5-6H,4,10H2,1-3H3
InChIKeyCOBBWFNKNTWHPV-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.07
Rot. Bonds3

About 1-(6-ethyl-5-methoxypyrimidin-4-yl)ethanamine

1-(6-ethyl-5-methoxypyrimidin-4-yl)ethanamine (PubChem CID 82654534) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(6-ethyl-5-methoxypyrimidin-4-yl)ethanamine.

Molecular Properties

Compound Name1-(6-ethyl-5-methoxypyrimidin-4-yl)ethanamine
PubChem CID82654534
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(6-ethyl-5-methoxypyrimidin-4-yl)ethanamine
SMILESCCc1ncnc(C(C)N)c1OC
InChIInChI=1S/C9H15N3O/c1-4-7-9(13-3)8(6(2)10)12-5-11-7/h5-6H,4,10H2,1-3H3
InChIKeyCOBBWFNKNTWHPV-UHFFFAOYSA-N
XLogP1.07
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-ethyl-5-methylpyrimidin-4-yl)ethanamine
CID 82414481
1-(6-ethyl-5-methoxypyrimidin-4-yl)-N-methylmethanamine
CID 82654656
1-(3-ethylpyrazin-2-yl)ethanamine
CID 171372703
4-ethyl-6-propan-2-ylpyrimidin-5-ol
CID 143740728
4-ethyl-6-pentan-2-ylpyrimidin-5-amine
CID 135242515
4,6-diethylpyrimidin-5-amine
CID 15585361
4-ethyl-6-methoxypyrido[3,4-d]pyrimidine
CID 167049186
4,6-diethylpyrimidin-5-amine;hydrochloride
CID 119057009
4-ethyl-5-(2-iodoethyl)-6-propan-2-ylpyrimidine
CID 146553685
4,6-diethyl-5-methylpyrimidine
CID 56994655
6-ethylpyrimidine-4,5-diamine
CID 55281657
3-(6-methoxy-5-methylpyrimidin-4-yl)pentan-2-amine
CID 66326541

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-5-methoxypyrimidin-4-yl)ethanamine?
The IUPAC name of 1-(6-ethyl-5-methoxypyrimidin-4-yl)ethanamine (CID 82654534) is 1-(6-ethyl-5-methoxypyrimidin-4-yl)ethanamine.
What is the SMILES notation for 1-(6-ethyl-5-methoxypyrimidin-4-yl)ethanamine?
The canonical SMILES for 1-(6-ethyl-5-methoxypyrimidin-4-yl)ethanamine is CCc1ncnc(C(C)N)c1OC.
What is the InChIKey of 1-(6-ethyl-5-methoxypyrimidin-4-yl)ethanamine?
The InChIKey is COBBWFNKNTWHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-4-7-9(13-3)8(6(2)10)12-5-11-7/h5-6H,4,10H2,1-3H3.
What are the key properties of 1-(6-ethyl-5-methoxypyrimidin-4-yl)ethanamine?
1-(6-ethyl-5-methoxypyrimidin-4-yl)ethanamine has a molecular weight of 181.24 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-5-methoxypyrimidin-4-yl)ethanamine is sourced from PubChem (CID 82654534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).