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

C14H19ClN4O — CID 106389477

IUPAC6-chloro-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cnc(C(C)Nc2nc(C(C)C)nc(Cl)c2C)o1
InChIInChI=1S/C14H19ClN4O/c1-7(2)12-18-11(15)9(4)13(19-12)17-10(5)14-16-6-8(3)20-14/h6-7,10H,1-5H3,(H,17,18,19)
InChIKeyXNFBBCGPKKSPFL-UHFFFAOYSA-N
MW294.79 g/mol
LogP4.03
Rot. Bonds4

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

6-chloro-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine (PubChem CID 106389477) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
PubChem CID106389477
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name6-chloro-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cnc(C(C)Nc2nc(C(C)C)nc(Cl)c2C)o1
InChIInChI=1S/C14H19ClN4O/c1-7(2)12-18-11(15)9(4)13(19-12)17-10(5)14-16-6-8(3)20-14/h6-7,10H,1-5H3,(H,17,18,19)
InChIKeyXNFBBCGPKKSPFL-UHFFFAOYSA-N
XLogP4.03
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine with MolForge

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Related Compounds

6-hydrazinyl-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 106390425
6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 106390426
6-chloro-5-methyl-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80973311
6-chloro-N-[1-(4-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80979435
6-chloro-5-ethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 106389511
5-chloro-2-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 106390455
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
6-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 103946658
2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanamide
CID 80969834
6-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyrimidin-4-amine
CID 114182515
3,5-dichloro-6-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 106390393

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine (CID 106389477) is 6-chloro-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine is Cc1cnc(C(C)Nc2nc(C(C)C)nc(Cl)c2C)o1.
What is the InChIKey of 6-chloro-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is XNFBBCGPKKSPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-7(2)12-18-11(15)9(4)13(19-12)17-10(5)14-16-6-8(3)20-14/h6-7,10H,1-5H3,(H,17,18,19).
What are the key properties of 6-chloro-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine?
6-chloro-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 294.79 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 106389477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).