6-amino-5-(2-chlorophenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one

C20H25ClN4O2 — CID 145210047

IUPAC6-amino-5-(2-chlorophenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one
SMILESC[C@H]1CC2(CCN(c3nc(N)c(-c4ccccc4Cl)c(=O)n3C)CC2)CO1
InChIInChI=1S/C20H25ClN4O2/c1-13-11-20(12-27-13)7-9-25(10-8-20)19-23-17(22)16(18(26)24(19)2)14-5-3-4-6-15(14)21/h3-6,13H,7-12,22H2,1-2H3/t13-/m0/s1
InChIKeyNZXAPJFFHOKWFL-ZDUSSCGKSA-N
MW388.90 g/mol
LogP3.08
Rot. Bonds2

About 6-amino-5-(2-chlorophenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one

6-amino-5-(2-chlorophenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one (PubChem CID 145210047) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 6-amino-5-(2-chlorophenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one.

Molecular Properties

Compound Name6-amino-5-(2-chlorophenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one
PubChem CID145210047
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name6-amino-5-(2-chlorophenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one
SMILESC[C@H]1CC2(CCN(c3nc(N)c(-c4ccccc4Cl)c(=O)n3C)CC2)CO1
InChIInChI=1S/C20H25ClN4O2/c1-13-11-20(12-27-13)7-9-25(10-8-20)19-23-17(22)16(18(26)24(19)2)14-5-3-4-6-15(14)21/h3-6,13H,7-12,22H2,1-2H3/t13-/m0/s1
InChIKeyNZXAPJFFHOKWFL-ZDUSSCGKSA-N
XLogP3.08
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2-chlorophenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one?
The IUPAC name of 6-amino-5-(2-chlorophenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one (CID 145210047) is 6-amino-5-(2-chlorophenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one.
What is the SMILES notation for 6-amino-5-(2-chlorophenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one?
The canonical SMILES for 6-amino-5-(2-chlorophenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one is C[C@H]1CC2(CCN(c3nc(N)c(-c4ccccc4Cl)c(=O)n3C)CC2)CO1.
What is the InChIKey of 6-amino-5-(2-chlorophenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one?
The InChIKey is NZXAPJFFHOKWFL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-13-11-20(12-27-13)7-9-25(10-8-20)19-23-17(22)16(18(26)24(19)2)14-5-3-4-6-15(14)21/h3-6,13H,7-12,22H2,1-2H3/t13-/m0/s1.
What are the key properties of 6-amino-5-(2-chlorophenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one?
6-amino-5-(2-chlorophenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one has a molecular weight of 388.90 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2-chlorophenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one is sourced from PubChem (CID 145210047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).