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

C23H30N4O3 — CID 145209941

IUPAC6-amino-5-(4-cyclopropyloxyphenyl)-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(-c4ccc(OC5CC5)cc4)c(=O)n3C)CC2)CO1
InChIInChI=1S/C23H30N4O3/c1-15-13-23(14-29-15)9-11-27(12-10-23)22-25-20(24)19(21(28)26(22)2)16-3-5-17(6-4-16)30-18-7-8-18/h3-6,15,18H,7-14,24H2,1-2H3/t15-/m0/s1
InChIKeyMEDWIFPMMMEPCY-HNNXBMFYSA-N
MW410.52 g/mol
LogP2.97
Rot. Bonds4

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

6-amino-5-(4-cyclopropyloxyphenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one (PubChem CID 145209941) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 6-amino-5-(4-cyclopropyloxyphenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one.

Molecular Properties

Compound Name6-amino-5-(4-cyclopropyloxyphenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one
PubChem CID145209941
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name6-amino-5-(4-cyclopropyloxyphenyl)-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(-c4ccc(OC5CC5)cc4)c(=O)n3C)CC2)CO1
InChIInChI=1S/C23H30N4O3/c1-15-13-23(14-29-15)9-11-27(12-10-23)22-25-20(24)19(21(28)26(22)2)16-3-5-17(6-4-16)30-18-7-8-18/h3-6,15,18H,7-14,24H2,1-2H3/t15-/m0/s1
InChIKeyMEDWIFPMMMEPCY-HNNXBMFYSA-N
XLogP2.97
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(4-cyclopropyloxyphenyl)-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-(4-cyclopropyloxyphenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one (CID 145209941) is 6-amino-5-(4-cyclopropyloxyphenyl)-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-(4-cyclopropyloxyphenyl)-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-(4-cyclopropyloxyphenyl)-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(-c4ccc(OC5CC5)cc4)c(=O)n3C)CC2)CO1.
What is the InChIKey of 6-amino-5-(4-cyclopropyloxyphenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one?
The InChIKey is MEDWIFPMMMEPCY-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-15-13-23(14-29-15)9-11-27(12-10-23)22-25-20(24)19(21(28)26(22)2)16-3-5-17(6-4-16)30-18-7-8-18/h3-6,15,18H,7-14,24H2,1-2H3/t15-/m0/s1.
What are the key properties of 6-amino-5-(4-cyclopropyloxyphenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one?
6-amino-5-(4-cyclopropyloxyphenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one has a molecular weight of 410.52 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(4-cyclopropyloxyphenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one is sourced from PubChem (CID 145209941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).