[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl] cyclopropanecarboxylate

C19H17N5O3 — CID 175289369

IUPAC[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl] cyclopropanecarboxylate
SMILESO=C(Oc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)C1CC1
InChIInChI=1S/C19H17N5O3/c25-17(11-5-6-11)27-19-24-23-16(26-19)14-9-20-18(21-10-14)22-15-7-12-3-1-2-4-13(12)8-15/h1-4,9-11,15H,5-8H2,(H,20,21,22)
InChIKeyPIQILFNHMVTREJ-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.42
Rot. Bonds5

About [5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl] cyclopropanecarboxylate

[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl] cyclopropanecarboxylate (PubChem CID 175289369) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is [5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl] cyclopropanecarboxylate
PubChem CID175289369
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl] cyclopropanecarboxylate
SMILESO=C(Oc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)C1CC1
InChIInChI=1S/C19H17N5O3/c25-17(11-5-6-11)27-19-24-23-16(26-19)14-9-20-18(21-10-14)22-15-7-12-3-1-2-4-13(12)8-15/h1-4,9-11,15H,5-8H2,(H,20,21,22)
InChIKeyPIQILFNHMVTREJ-UHFFFAOYSA-N
XLogP2.42
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-4-yl)pyrimidin-2-amine
CID 178038423
methyl 1-[5-[2-[(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]pyrrolidine-3-carboxylate
CID 169273943
1-[5-[2-[(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]azetidine-3-carboxylic acid
CID 169273963
2-[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-oxazol-5-yl]-1,3,4-oxadiazol-2-yl]acetic acid
CID 165146735
N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 169273981
[4-[1-[5-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-yl]triazol-1-yl]methyl 2,2-dimethylpropanoate
CID 169273887
N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 169273871
tert-butyl 4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 142740284
(5S)-N-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-5-propan-2-yloxyphenyl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide
CID 170962441
2-(2,3-dihydro-1H-inden-2-ylamino)-N-[4-(2H-triazol-4-yl)butyl]pyrimidine-5-carboxamide
CID 162717362
N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-amine
CID 175870887
4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrimidine-5-carboxylic acid
CID 83178304

Frequently Asked Questions

What is the IUPAC name of [5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl] cyclopropanecarboxylate?
The IUPAC name of [5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl] cyclopropanecarboxylate (CID 175289369) is [5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl] cyclopropanecarboxylate.
What is the SMILES notation for [5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl] cyclopropanecarboxylate?
The canonical SMILES for [5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl] cyclopropanecarboxylate is O=C(Oc1nnc(-c2cnc(NC3Cc4ccccc4C3)nc2)o1)C1CC1.
What is the InChIKey of [5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl] cyclopropanecarboxylate?
The InChIKey is PIQILFNHMVTREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c25-17(11-5-6-11)27-19-24-23-16(26-19)14-9-20-18(21-10-14)22-15-7-12-3-1-2-4-13(12)8-15/h1-4,9-11,15H,5-8H2,(H,20,21,22).
What are the key properties of [5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl] cyclopropanecarboxylate?
[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl] cyclopropanecarboxylate has a molecular weight of 363.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl] cyclopropanecarboxylate is sourced from PubChem (CID 175289369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).