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

C23H24N4O — CID 10193886

IUPACN-(2,3-dihydro-1H-inden-1-yl)-4-[(3S)-3-phenylmorpholin-4-yl]pyrimidin-2-amine
SMILESc1ccc([C@H]2COCCN2c2ccnc(NC3CCc4ccccc43)n2)cc1
InChIInChI=1S/C23H24N4O/c1-2-7-18(8-3-1)21-16-28-15-14-27(21)22-12-13-24-23(26-22)25-20-11-10-17-6-4-5-9-19(17)20/h1-9,12-13,20-21H,10-11,14-16H2,(H,24,25,26)/t20?,21-/m1/s1
InChIKeyDRCCPBZRRBOWGP-BPGUCPLFSA-N
MW372.47 g/mol
LogP4.15
Rot. Bonds4

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

N-(2,3-dihydro-1H-inden-1-yl)-4-[(3S)-3-phenylmorpholin-4-yl]pyrimidin-2-amine (PubChem CID 10193886) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-4-[(3S)-3-phenylmorpholin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-4-[(3S)-3-phenylmorpholin-4-yl]pyrimidin-2-amine
PubChem CID10193886
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-4-[(3S)-3-phenylmorpholin-4-yl]pyrimidin-2-amine
SMILESc1ccc([C@H]2COCCN2c2ccnc(NC3CCc4ccccc43)n2)cc1
InChIInChI=1S/C23H24N4O/c1-2-7-18(8-3-1)21-16-28-15-14-27(21)22-12-13-24-23(26-22)25-20-11-10-17-6-4-5-9-19(17)20/h1-9,12-13,20-21H,10-11,14-16H2,(H,24,25,26)/t20?,21-/m1/s1
InChIKeyDRCCPBZRRBOWGP-BPGUCPLFSA-N
XLogP4.15
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.15
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-1-yl)-4-[(3S)-3-phenylmorpholin-4-yl]pyrimidin-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4-[(3S)-3-phenylmorpholin-4-yl]pyrimidin-2-amine (CID 10193886) is N-(2,3-dihydro-1H-inden-1-yl)-4-[(3S)-3-phenylmorpholin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-4-[(3S)-3-phenylmorpholin-4-yl]pyrimidin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-4-[(3S)-3-phenylmorpholin-4-yl]pyrimidin-2-amine is c1ccc([C@H]2COCCN2c2ccnc(NC3CCc4ccccc43)n2)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-4-[(3S)-3-phenylmorpholin-4-yl]pyrimidin-2-amine?
The InChIKey is DRCCPBZRRBOWGP-BPGUCPLFSA-N. The full InChI is InChI=1S/C23H24N4O/c1-2-7-18(8-3-1)21-16-28-15-14-27(21)22-12-13-24-23(26-22)25-20-11-10-17-6-4-5-9-19(17)20/h1-9,12-13,20-21H,10-11,14-16H2,(H,24,25,26)/t20?,21-/m1/s1.
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-4-[(3S)-3-phenylmorpholin-4-yl]pyrimidin-2-amine?
N-(2,3-dihydro-1H-inden-1-yl)-4-[(3S)-3-phenylmorpholin-4-yl]pyrimidin-2-amine has a molecular weight of 372.47 g/mol, XLogP of 4.15, 4 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-1-yl)-4-[(3S)-3-phenylmorpholin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 10193886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).