(3R)-1'-(4-aminopyrimidin-2-yl)-1-methylspiro[indole-3,3'-piperidine]-2-one

C17H19N5O — CID 95715036

IUPAC(3R)-1'-(4-aminopyrimidin-2-yl)-1-methylspiro[indole-3,3'-piperidine]-2-one
SMILESCN1C(=O)[C@]2(CCCN(c3nccc(N)n3)C2)c2ccccc21
InChIInChI=1S/C17H19N5O/c1-21-13-6-3-2-5-12(13)17(15(21)23)8-4-10-22(11-17)16-19-9-7-14(18)20-16/h2-3,5-7,9H,4,8,10-11H2,1H3,(H2,18,19,20)/t17-/m0/s1
InChIKeyBGGCPCZMAUJBQV-KRWDZBQOSA-N
MW309.37 g/mol
LogP1.57
Rot. Bonds1

About (3R)-1'-(4-aminopyrimidin-2-yl)-1-methylspiro[indole-3,3'-piperidine]-2-one

(3R)-1'-(4-aminopyrimidin-2-yl)-1-methylspiro[indole-3,3'-piperidine]-2-one (PubChem CID 95715036) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is (3R)-1'-(4-aminopyrimidin-2-yl)-1-methylspiro[indole-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name(3R)-1'-(4-aminopyrimidin-2-yl)-1-methylspiro[indole-3,3'-piperidine]-2-one
PubChem CID95715036
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name(3R)-1'-(4-aminopyrimidin-2-yl)-1-methylspiro[indole-3,3'-piperidine]-2-one
SMILESCN1C(=O)[C@]2(CCCN(c3nccc(N)n3)C2)c2ccccc21
InChIInChI=1S/C17H19N5O/c1-21-13-6-3-2-5-12(13)17(15(21)23)8-4-10-22(11-17)16-19-9-7-14(18)20-16/h2-3,5-7,9H,4,8,10-11H2,1H3,(H2,18,19,20)/t17-/m0/s1
InChIKeyBGGCPCZMAUJBQV-KRWDZBQOSA-N
XLogP1.57
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1'-(4-aminopyrimidin-2-yl)-1-methylspiro[indole-3,3'-piperidine]-2-one?
The IUPAC name of (3R)-1'-(4-aminopyrimidin-2-yl)-1-methylspiro[indole-3,3'-piperidine]-2-one (CID 95715036) is (3R)-1'-(4-aminopyrimidin-2-yl)-1-methylspiro[indole-3,3'-piperidine]-2-one.
What is the SMILES notation for (3R)-1'-(4-aminopyrimidin-2-yl)-1-methylspiro[indole-3,3'-piperidine]-2-one?
The canonical SMILES for (3R)-1'-(4-aminopyrimidin-2-yl)-1-methylspiro[indole-3,3'-piperidine]-2-one is CN1C(=O)[C@]2(CCCN(c3nccc(N)n3)C2)c2ccccc21.
What is the InChIKey of (3R)-1'-(4-aminopyrimidin-2-yl)-1-methylspiro[indole-3,3'-piperidine]-2-one?
The InChIKey is BGGCPCZMAUJBQV-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19N5O/c1-21-13-6-3-2-5-12(13)17(15(21)23)8-4-10-22(11-17)16-19-9-7-14(18)20-16/h2-3,5-7,9H,4,8,10-11H2,1H3,(H2,18,19,20)/t17-/m0/s1.
What are the key properties of (3R)-1'-(4-aminopyrimidin-2-yl)-1-methylspiro[indole-3,3'-piperidine]-2-one?
(3R)-1'-(4-aminopyrimidin-2-yl)-1-methylspiro[indole-3,3'-piperidine]-2-one has a molecular weight of 309.37 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-(4-aminopyrimidin-2-yl)-1-methylspiro[indole-3,3'-piperidine]-2-one is sourced from PubChem (CID 95715036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).