1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanamine

C9H9ClN4O — CID 168932700

IUPAC1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanamine
SMILESCC(N)c1ocnc1-c1cc(Cl)ncn1
InChIInChI=1S/C9H9ClN4O/c1-5(11)9-8(14-4-15-9)6-2-7(10)13-3-12-6/h2-5H,11H2,1H3
InChIKeyUPLAASYCNQOIGG-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.80
Rot. Bonds2

About 1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanamine

1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanamine (PubChem CID 168932700) has the molecular formula C9H9ClN4O and a molecular weight of 224.65 g/mol. Its IUPAC name is 1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanamine
PubChem CID168932700
Molecular FormulaC9H9ClN4O
Molecular Weight224.65 g/mol
Exact Mass224.05
IUPAC Name1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanamine
SMILESCC(N)c1ocnc1-c1cc(Cl)ncn1
InChIInChI=1S/C9H9ClN4O/c1-5(11)9-8(14-4-15-9)6-2-7(10)13-3-12-6/h2-5H,11H2,1H3
InChIKeyUPLAASYCNQOIGG-UHFFFAOYSA-N
XLogP1.80
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanone
CID 168932695
2-(6-chloropyrimidin-4-yl)-3-methoxypyrazine
CID 104516547
4-chloro-6-(4-propan-2-yloxyphenyl)pyrimidine
CID 24902044
4-chloro-6-(1-fluoroethyl)pyrimidine
CID 83854100
4-chloro-6-(3-chloro-5-fluorophenyl)pyrimidine
CID 24902118
(1R)-1-(6-chloro-4-methyl-3-pyridinyl)ethanamine
CID 55275523
4-chloro-6-(4-methoxyphenyl)pyrimidine
CID 11160353
4-chloro-6-(4-chloro-2-methylphenyl)pyrimidine
CID 24902067
3-[1-[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 169081321
6-(6-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole
CID 122667380
1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride
CID 130875323
4-chloro-6-(3-chloro-5-methylphenyl)pyrimidine;4,6-dichloropyrimidine;(3,5-dimethylphenyl)boronic acid
CID 162138853

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanamine?
The IUPAC name of 1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanamine (CID 168932700) is 1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanamine.
What is the SMILES notation for 1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanamine?
The canonical SMILES for 1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanamine is CC(N)c1ocnc1-c1cc(Cl)ncn1.
What is the InChIKey of 1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanamine?
The InChIKey is UPLAASYCNQOIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O/c1-5(11)9-8(14-4-15-9)6-2-7(10)13-3-12-6/h2-5H,11H2,1H3.
What are the key properties of 1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanamine?
1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanamine has a molecular weight of 224.65 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloropyrimidin-4-yl)-1,3-oxazol-5-yl]ethanamine is sourced from PubChem (CID 168932700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).