N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine

C21H17N5O — CID 99756347

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
SMILESc1ccc(-c2noc(-c3cncnc3N[C@H]3CCc4ccccc43)n2)cc1
InChIInChI=1S/C21H17N5O/c1-2-7-15(8-3-1)19-25-21(27-26-19)17-12-22-13-23-20(17)24-18-11-10-14-6-4-5-9-16(14)18/h1-9,12-13,18H,10-11H2,(H,22,23,24)/t18-/m0/s1
InChIKeyTUAFUNNATPGTSI-SFHVURJKSA-N
MW355.40 g/mol
LogP4.29
Rot. Bonds4

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine (PubChem CID 99756347) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
PubChem CID99756347
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
SMILESc1ccc(-c2noc(-c3cncnc3N[C@H]3CCc4ccccc43)n2)cc1
InChIInChI=1S/C21H17N5O/c1-2-7-15(8-3-1)19-25-21(27-26-19)17-12-22-13-23-20(17)24-18-11-10-14-6-4-5-9-16(14)18/h1-9,12-13,18H,10-11H2,(H,22,23,24)/t18-/m0/s1
InChIKeyTUAFUNNATPGTSI-SFHVURJKSA-N
XLogP4.29
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(cyclopentylamino)-2-(2,3-dihydro-1H-inden-2-ylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
CID 71552620
2-(9H-fluoren-9-ylamino)-N-hydroxypyrimidine-5-carboxamide
CID 59783744
N-[(3,5-Difluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-YL)pyrimidin-4-amine
CID 91892578
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 52313495
N-(2,3-dimethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
CID 91892569
N-(4-fluoro-2-methylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
CID 91892575
4-(4-Methylpiperidin-1-yl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidine
CID 91892571
US11433053, Example 128
CID 155633183
N-(2-fluoro-5-methylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
CID 91809742
N-cyclohexyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
CID 91892565
N-(3-fluoro-2-methylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
CID 91892567
N-(2-fluoro-4-methylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
CID 91892568

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine (CID 99756347) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine is c1ccc(-c2noc(-c3cncnc3N[C@H]3CCc4ccccc43)n2)cc1.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The InChIKey is TUAFUNNATPGTSI-SFHVURJKSA-N. The full InChI is InChI=1S/C21H17N5O/c1-2-7-15(8-3-1)19-25-21(27-26-19)17-12-22-13-23-20(17)24-18-11-10-14-6-4-5-9-16(14)18/h1-9,12-13,18H,10-11H2,(H,22,23,24)/t18-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine has a molecular weight of 355.40 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 99756347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).