6-chloro-5-ethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine

C12H15ClN4O — CID 106389511

IUPAC6-chloro-5-ethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NC(C)c1ncc(C)o1
InChIInChI=1S/C12H15ClN4O/c1-4-9-10(13)15-6-16-11(9)17-8(3)12-14-5-7(2)18-12/h5-6,8H,4H2,1-3H3,(H,15,16,17)
InChIKeyPBUIDQIFDAJRNM-UHFFFAOYSA-N
MW266.73 g/mol
LogP3.16
Rot. Bonds4

About 6-chloro-5-ethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine

6-chloro-5-ethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 106389511) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 6-chloro-5-ethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-ethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
PubChem CID106389511
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name6-chloro-5-ethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NC(C)c1ncc(C)o1
InChIInChI=1S/C12H15ClN4O/c1-4-9-10(13)15-6-16-11(9)17-8(3)12-14-5-7(2)18-12/h5-6,8H,4H2,1-3H3,(H,15,16,17)
InChIKeyPBUIDQIFDAJRNM-UHFFFAOYSA-N
XLogP3.16
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyrimidin-4-amine
CID 114182515
6-chloro-5-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine
CID 106193524
6-methoxy-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 114182450
6-chloro-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 106389477
3,5-dichloro-6-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 106390393
3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrazin-2-amine
CID 106388768
3-chloro-2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2,5-diamine
CID 114182292
5-chloro-2-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 106390455
6-N,5-diethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80800701
6-chloro-N-(1-cyclohexylethyl)-5-ethylpyrimidin-4-amine
CID 63728520
5-bromo-2-N-ethyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 106390355
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-propoxypyrimidin-4-amine
CID 106388801

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-ethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine (CID 106389511) is 6-chloro-5-ethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-ethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-ethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine is CCc1c(Cl)ncnc1NC(C)c1ncc(C)o1.
What is the InChIKey of 6-chloro-5-ethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is PBUIDQIFDAJRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-4-9-10(13)15-6-16-11(9)17-8(3)12-14-5-7(2)18-12/h5-6,8H,4H2,1-3H3,(H,15,16,17).
What are the key properties of 6-chloro-5-ethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine?
6-chloro-5-ethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 266.73 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106389511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).