2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(1,3-oxazol-2-yl)ethanone

C9H8ClN5O2 — CID 167601114

IUPAC2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(1,3-oxazol-2-yl)ethanone
SMILESNc1nc(Cl)cc(NCC(=O)c2ncco2)n1
InChIInChI=1S/C9H8ClN5O2/c10-6-3-7(15-9(11)14-6)13-4-5(16)8-12-1-2-17-8/h1-3H,4H2,(H3,11,13,14,15)
InChIKeyJTEAIVQXWUASCW-UHFFFAOYSA-N
MW253.65 g/mol
LogP1.00
Rot. Bonds4

About 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(1,3-oxazol-2-yl)ethanone

2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(1,3-oxazol-2-yl)ethanone (PubChem CID 167601114) has the molecular formula C9H8ClN5O2 and a molecular weight of 253.65 g/mol. Its IUPAC name is 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(1,3-oxazol-2-yl)ethanone.

Molecular Properties

Compound Name2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(1,3-oxazol-2-yl)ethanone
PubChem CID167601114
Molecular FormulaC9H8ClN5O2
Molecular Weight253.65 g/mol
Exact Mass253.04
IUPAC Name2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(1,3-oxazol-2-yl)ethanone
SMILESNc1nc(Cl)cc(NCC(=O)c2ncco2)n1
InChIInChI=1S/C9H8ClN5O2/c10-6-3-7(15-9(11)14-6)13-4-5(16)8-12-1-2-17-8/h1-3H,4H2,(H3,11,13,14,15)
InChIKeyJTEAIVQXWUASCW-UHFFFAOYSA-N
XLogP1.00
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-butyl-5-(1,3-oxazol-2-ylmethoxy)pyrimidine-2,4-diamine
CID 155531333
6-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106389493
6-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 114180783
2-[(4,5,6-Trichloropyrimidin-2-yl)methyl]-1,3-oxazole
CID 87337278
N-(2-methylpyrimidin-4-yl)-1,3-oxazole-5-carboxamide
CID 91803234
N-(2-amino-6-chloropyrimidin-4-yl)-1,3-oxazole-2-carbohydrazide
CID 155272558
N'-(2-amino-6-chloropyrimidin-4-yl)-1,3-oxazole-2-carbohydrazide
CID 155277327
4-Chloro-6-(2-methylhydrazinyl)pyrimidin-2-amine;1,3-oxazole-2-carbaldehyde
CID 155718761
N-(2,4-dichloropyrimidin-5-yl)-1,3-oxazole-2-carboxamide
CID 156340562
6-chloro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 103718672
6-chloro-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 103718695
2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 103761590

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(1,3-oxazol-2-yl)ethanone?
The IUPAC name of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(1,3-oxazol-2-yl)ethanone (CID 167601114) is 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(1,3-oxazol-2-yl)ethanone.
What is the SMILES notation for 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(1,3-oxazol-2-yl)ethanone?
The canonical SMILES for 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(1,3-oxazol-2-yl)ethanone is Nc1nc(Cl)cc(NCC(=O)c2ncco2)n1.
What is the InChIKey of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(1,3-oxazol-2-yl)ethanone?
The InChIKey is JTEAIVQXWUASCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O2/c10-6-3-7(15-9(11)14-6)13-4-5(16)8-12-1-2-17-8/h1-3H,4H2,(H3,11,13,14,15).
What are the key properties of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(1,3-oxazol-2-yl)ethanone?
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(1,3-oxazol-2-yl)ethanone has a molecular weight of 253.65 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(1,3-oxazol-2-yl)ethanone is sourced from PubChem (CID 167601114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).