N-[(2-chlorophenyl)methyl]-3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C14H13ClN4O — CID 52998617

IUPACN-[(2-chlorophenyl)methyl]-3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCCc1noc2ncnc(NCc3ccccc3Cl)c12
InChIInChI=1S/C14H13ClN4O/c1-2-11-12-13(17-8-18-14(12)20-19-11)16-7-9-5-3-4-6-10(9)15/h3-6,8H,2,7H2,1H3,(H,16,17,18)
InChIKeyILRAOSMPWXEDTK-UHFFFAOYSA-N
MW288.74 g/mol
LogP3.45
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

N-[(2-chlorophenyl)methyl]-3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 52998617) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID52998617
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC NameN-[(2-chlorophenyl)methyl]-3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCCc1noc2ncnc(NCc3ccccc3Cl)c12
InChIInChI=1S/C14H13ClN4O/c1-2-11-12-13(17-8-18-14(12)20-19-11)16-7-9-5-3-4-6-10(9)15/h3-6,8H,2,7H2,1H3,(H,16,17,18)
InChIKeyILRAOSMPWXEDTK-UHFFFAOYSA-N
XLogP3.45
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922592
4-N-[(2-chlorophenyl)methyl]-6-N-propylpyrimidine-4,5,6-triamine
CID 19135528
N-[(2-chlorophenyl)methyl]-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46282615
4-N-[(2-chlorophenyl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80784843
N-[(2-chlorophenyl)methyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80932408
4-N-[(2-chlorophenyl)methyl]-6-(2,2-dimethylhydrazinyl)pyrimidine-4,5-diamine
CID 19145647
6-N-[(2-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147870
4-N,6-N-bis[(2-chlorophenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 22538950
6-N-[(2-chlorophenyl)methyl]-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
CID 19137045
6-chloro-5-ethyl-N-[(2-ethylphenyl)methyl]pyrimidin-4-amine
CID 64695768
4-N-[(2-chlorophenyl)methyl]-6-N-ethylpyrimidine-4,6-diamine
CID 80784844
N-[(2-chlorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909171

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 52998617) is N-[(2-chlorophenyl)methyl]-3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is CCc1noc2ncnc(NCc3ccccc3Cl)c12.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is ILRAOSMPWXEDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-2-11-12-13(17-8-18-14(12)20-19-11)16-7-9-5-3-4-6-10(9)15/h3-6,8H,2,7H2,1H3,(H,16,17,18).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-[(2-chlorophenyl)methyl]-3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 288.74 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 52998617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).