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

C21H28N4O3 — CID 145210049

IUPAC6-amino-5-(2-methoxyphenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one
SMILESCOc1ccccc1-c1c(N)nc(N2CCC3(CC2)CO[C@@H](C)C3)n(C)c1=O
InChIInChI=1S/C21H28N4O3/c1-14-12-21(13-28-14)8-10-25(11-9-21)20-23-18(22)17(19(26)24(20)2)15-6-4-5-7-16(15)27-3/h4-7,14H,8-13,22H2,1-3H3/t14-/m0/s1
InChIKeyXKWCBSUKICUKNG-AWEZNQCLSA-N
MW384.48 g/mol
LogP2.43
Rot. Bonds3

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

6-amino-5-(2-methoxyphenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one (PubChem CID 145210049) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 6-amino-5-(2-methoxyphenyl)-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-methoxyphenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one
PubChem CID145210049
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name6-amino-5-(2-methoxyphenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one
SMILESCOc1ccccc1-c1c(N)nc(N2CCC3(CC2)CO[C@@H](C)C3)n(C)c1=O
InChIInChI=1S/C21H28N4O3/c1-14-12-21(13-28-14)8-10-25(11-9-21)20-23-18(22)17(19(26)24(20)2)15-6-4-5-7-16(15)27-3/h4-7,14H,8-13,22H2,1-3H3/t14-/m0/s1
InChIKeyXKWCBSUKICUKNG-AWEZNQCLSA-N
XLogP2.43
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2-methoxyphenyl)-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-methoxyphenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one (CID 145210049) is 6-amino-5-(2-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one is COc1ccccc1-c1c(N)nc(N2CCC3(CC2)CO[C@@H](C)C3)n(C)c1=O.
What is the InChIKey of 6-amino-5-(2-methoxyphenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one?
The InChIKey is XKWCBSUKICUKNG-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-14-12-21(13-28-14)8-10-25(11-9-21)20-23-18(22)17(19(26)24(20)2)15-6-4-5-7-16(15)27-3/h4-7,14H,8-13,22H2,1-3H3/t14-/m0/s1.
What are the key properties of 6-amino-5-(2-methoxyphenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one?
6-amino-5-(2-methoxyphenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one has a molecular weight of 384.48 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2-methoxyphenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one is sourced from PubChem (CID 145210049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).