5-[2-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one

C20H30N4O2 — CID 137151169

IUPAC5-[2-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CC(=O)N2CC[C@]3(CCCN(CC4CC4)C3)C2)c(=O)[nH]1
InChIInChI=1S/C20H30N4O2/c1-14-17(19(26)22-15(2)21-14)10-18(25)24-9-7-20(13-24)6-3-8-23(12-20)11-16-4-5-16/h16H,3-13H2,1-2H3,(H,21,22,26)/t20-/m0/s1
InChIKeySVWVKOTXRWZWIY-FQEVSTJZSA-N
MW358.49 g/mol
LogP1.65
Rot. Bonds4

About 5-[2-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one

5-[2-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 137151169) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 5-[2-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[2-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID137151169
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name5-[2-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CC(=O)N2CC[C@]3(CCCN(CC4CC4)C3)C2)c(=O)[nH]1
InChIInChI=1S/C20H30N4O2/c1-14-17(19(26)22-15(2)21-14)10-18(25)24-9-7-20(13-24)6-3-8-23(12-20)11-16-4-5-16/h16H,3-13H2,1-2H3,(H,21,22,26)/t20-/m0/s1
InChIKeySVWVKOTXRWZWIY-FQEVSTJZSA-N
XLogP1.65
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[2-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one (CID 137151169) is 5-[2-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[2-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[2-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one is Cc1nc(C)c(CC(=O)N2CC[C@]3(CCCN(CC4CC4)C3)C2)c(=O)[nH]1.
What is the InChIKey of 5-[2-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is SVWVKOTXRWZWIY-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-14-17(19(26)22-15(2)21-14)10-18(25)24-9-7-20(13-24)6-3-8-23(12-20)11-16-4-5-16/h16H,3-13H2,1-2H3,(H,21,22,26)/t20-/m0/s1.
What are the key properties of 5-[2-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
5-[2-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 358.49 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137151169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).