N-(2,3-dihydro-1H-inden-2-yl)-4-(1,3-oxazol-5-yl)pyrimidin-2-amine

C16H14N4O — CID 175982609

IUPACN-(2,3-dihydro-1H-inden-2-yl)-4-(1,3-oxazol-5-yl)pyrimidin-2-amine
SMILESc1ccc2c(c1)CC(Nc1nccc(-c3cnco3)n1)C2
InChIInChI=1S/C16H14N4O/c1-2-4-12-8-13(7-11(12)3-1)19-16-18-6-5-14(20-16)15-9-17-10-21-15/h1-6,9-10,13H,7-8H2,(H,18,19,20)
InChIKeyJPCVTMQMIFCHES-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.71
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-2-yl)-4-(1,3-oxazol-5-yl)pyrimidin-2-amine

N-(2,3-dihydro-1H-inden-2-yl)-4-(1,3-oxazol-5-yl)pyrimidin-2-amine (PubChem CID 175982609) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-4-(1,3-oxazol-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-4-(1,3-oxazol-5-yl)pyrimidin-2-amine
PubChem CID175982609
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-4-(1,3-oxazol-5-yl)pyrimidin-2-amine
SMILESc1ccc2c(c1)CC(Nc1nccc(-c3cnco3)n1)C2
InChIInChI=1S/C16H14N4O/c1-2-4-12-8-13(7-11(12)3-1)19-16-18-6-5-14(20-16)15-9-17-10-21-15/h1-6,9-10,13H,7-8H2,(H,18,19,20)
InChIKeyJPCVTMQMIFCHES-UHFFFAOYSA-N
XLogP2.71
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-4-(1,3-oxazol-5-yl)pyrimidin-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-4-(1,3-oxazol-5-yl)pyrimidin-2-amine (CID 175982609) is N-(2,3-dihydro-1H-inden-2-yl)-4-(1,3-oxazol-5-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-4-(1,3-oxazol-5-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-4-(1,3-oxazol-5-yl)pyrimidin-2-amine is c1ccc2c(c1)CC(Nc1nccc(-c3cnco3)n1)C2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-4-(1,3-oxazol-5-yl)pyrimidin-2-amine?
The InChIKey is JPCVTMQMIFCHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-2-4-12-8-13(7-11(12)3-1)19-16-18-6-5-14(20-16)15-9-17-10-21-15/h1-6,9-10,13H,7-8H2,(H,18,19,20).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-4-(1,3-oxazol-5-yl)pyrimidin-2-amine?
N-(2,3-dihydro-1H-inden-2-yl)-4-(1,3-oxazol-5-yl)pyrimidin-2-amine has a molecular weight of 278.31 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-4-(1,3-oxazol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 175982609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).