2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C18H24N4O3 — CID 70786023

IUPAC2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(C(=O)c3cnc[nH]c3=O)C2)CN1CC1CC1
InChIInChI=1S/C18H24N4O3/c23-15-4-6-18(11-22(15)9-13-2-3-13)5-1-7-21(10-18)17(25)14-8-19-12-20-16(14)24/h8,12-13H,1-7,9-11H2,(H,19,20,24)
InChIKeyZCYUSNRMFWSBCH-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.02
Rot. Bonds3

About 2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70786023) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70786023
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(C(=O)c3cnc[nH]c3=O)C2)CN1CC1CC1
InChIInChI=1S/C18H24N4O3/c23-15-4-6-18(11-22(15)9-13-2-3-13)5-1-7-21(10-18)17(25)14-8-19-12-20-16(14)24/h8,12-13H,1-7,9-11H2,(H,19,20,24)
InChIKeyZCYUSNRMFWSBCH-UHFFFAOYSA-N
XLogP1.02
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70786023) is 2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCCN(C(=O)c3cnc[nH]c3=O)C2)CN1CC1CC1.
What is the InChIKey of 2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is ZCYUSNRMFWSBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c23-15-4-6-18(11-22(15)9-13-2-3-13)5-1-7-21(10-18)17(25)14-8-19-12-20-16(14)24/h8,12-13H,1-7,9-11H2,(H,19,20,24).
What are the key properties of 2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 344.42 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70786023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).