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

C11H13ClN4O — CID 63730016

IUPAC6-chloro-5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NCc1cc(C)on1
InChIInChI=1S/C11H13ClN4O/c1-3-9-10(12)14-6-15-11(9)13-5-8-4-7(2)17-16-8/h4,6H,3,5H2,1-2H3,(H,13,14,15)
InChIKeyHNDLLSZZAWZSSZ-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.60
Rot. Bonds4

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

6-chloro-5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine (PubChem CID 63730016) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is 6-chloro-5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine
PubChem CID63730016
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC Name6-chloro-5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NCc1cc(C)on1
InChIInChI=1S/C11H13ClN4O/c1-3-9-10(12)14-6-15-11(9)13-5-8-4-7(2)17-16-8/h4,6H,3,5H2,1-2H3,(H,13,14,15)
InChIKeyHNDLLSZZAWZSSZ-UHFFFAOYSA-N
XLogP2.60
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-N,5-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80813575
6-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyrimidin-4-amine
CID 62101050
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80793516
6-chloro-5-ethyl-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 114256242
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,5-diamine
CID 79917521
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80813211
5-chloro-3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine
CID 79728759
3-bromo-5-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine
CID 114835829
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazoline-4,7-diamine
CID 65336736
6-chloro-4-N-ethyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80812986
6-chloro-5-ethyl-N-[(2-ethylphenyl)methyl]pyrimidin-4-amine
CID 64695768
6-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyrimidin-4-amine
CID 80902807

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine (CID 63730016) is 6-chloro-5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine is CCc1c(Cl)ncnc1NCc1cc(C)on1.
What is the InChIKey of 6-chloro-5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is HNDLLSZZAWZSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-3-9-10(12)14-6-15-11(9)13-5-8-4-7(2)17-16-8/h4,6H,3,5H2,1-2H3,(H,13,14,15).
What are the key properties of 6-chloro-5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine?
6-chloro-5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 252.70 g/mol, XLogP of 2.60, 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-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 63730016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).