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

C12H13N5O — CID 166315415

IUPACN-[(4-ethyl-1,2-oxazol-3-yl)methyl]imidazo[1,2-a]pyrimidin-5-amine
SMILESCCc1conc1CNc1ccnc2nccn12
InChIInChI=1S/C12H13N5O/c1-2-9-8-18-16-10(9)7-15-11-3-4-13-12-14-5-6-17(11)12/h3-6,8,15H,2,7H2,1H3
InChIKeyVRQPREXJHCVNDT-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.89
Rot. Bonds4

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

N-[(4-ethyl-1,2-oxazol-3-yl)methyl]imidazo[1,2-a]pyrimidin-5-amine (PubChem CID 166315415) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[(4-ethyl-1,2-oxazol-3-yl)methyl]imidazo[1,2-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(4-ethyl-1,2-oxazol-3-yl)methyl]imidazo[1,2-a]pyrimidin-5-amine
PubChem CID166315415
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC NameN-[(4-ethyl-1,2-oxazol-3-yl)methyl]imidazo[1,2-a]pyrimidin-5-amine
SMILESCCc1conc1CNc1ccnc2nccn12
InChIInChI=1S/C12H13N5O/c1-2-9-8-18-16-10(9)7-15-11-3-4-13-12-14-5-6-17(11)12/h3-6,8,15H,2,7H2,1H3
InChIKeyVRQPREXJHCVNDT-UHFFFAOYSA-N
XLogP1.89
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2-oxazol-3-yl)methyl]imidazo[1,2-a]pyrimidin-5-amine?
The IUPAC name of N-[(4-ethyl-1,2-oxazol-3-yl)methyl]imidazo[1,2-a]pyrimidin-5-amine (CID 166315415) is N-[(4-ethyl-1,2-oxazol-3-yl)methyl]imidazo[1,2-a]pyrimidin-5-amine.
What is the SMILES notation for N-[(4-ethyl-1,2-oxazol-3-yl)methyl]imidazo[1,2-a]pyrimidin-5-amine?
The canonical SMILES for N-[(4-ethyl-1,2-oxazol-3-yl)methyl]imidazo[1,2-a]pyrimidin-5-amine is CCc1conc1CNc1ccnc2nccn12.
What is the InChIKey of N-[(4-ethyl-1,2-oxazol-3-yl)methyl]imidazo[1,2-a]pyrimidin-5-amine?
The InChIKey is VRQPREXJHCVNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-2-9-8-18-16-10(9)7-15-11-3-4-13-12-14-5-6-17(11)12/h3-6,8,15H,2,7H2,1H3.
What are the key properties of N-[(4-ethyl-1,2-oxazol-3-yl)methyl]imidazo[1,2-a]pyrimidin-5-amine?
N-[(4-ethyl-1,2-oxazol-3-yl)methyl]imidazo[1,2-a]pyrimidin-5-amine has a molecular weight of 243.27 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2-oxazol-3-yl)methyl]imidazo[1,2-a]pyrimidin-5-amine is sourced from PubChem (CID 166315415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).