9-(4-hydroxycyclohexyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one

C19H26N4O4 — CID 162638280

IUPAC9-(4-hydroxycyclohexyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C(c1cnc[nH]c1=O)N1CCCC12CCCN(C1CCC(O)CC1)C2=O
InChIInChI=1S/C19H26N4O4/c24-14-5-3-13(4-6-14)22-9-1-7-19(18(22)27)8-2-10-23(19)17(26)15-11-20-12-21-16(15)25/h11-14,24H,1-10H2,(H,20,21,25)
InChIKeyVTCMSHWJZLMSNG-UHFFFAOYSA-N
MW374.44 g/mol
LogP0.67
Rot. Bonds2

About 9-(4-hydroxycyclohexyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one

9-(4-hydroxycyclohexyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162638280) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 9-(4-hydroxycyclohexyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-(4-hydroxycyclohexyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162638280
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name9-(4-hydroxycyclohexyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C(c1cnc[nH]c1=O)N1CCCC12CCCN(C1CCC(O)CC1)C2=O
InChIInChI=1S/C19H26N4O4/c24-14-5-3-13(4-6-14)22-9-1-7-19(18(22)27)8-2-10-23(19)17(26)15-11-20-12-21-16(15)25/h11-14,24H,1-10H2,(H,20,21,25)
InChIKeyVTCMSHWJZLMSNG-UHFFFAOYSA-N
XLogP0.67
TPSA106.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(4-hydroxycyclohexyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-(4-hydroxycyclohexyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162638280) is 9-(4-hydroxycyclohexyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-(4-hydroxycyclohexyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-(4-hydroxycyclohexyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one is O=C(c1cnc[nH]c1=O)N1CCCC12CCCN(C1CCC(O)CC1)C2=O.
What is the InChIKey of 9-(4-hydroxycyclohexyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is VTCMSHWJZLMSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c24-14-5-3-13(4-6-14)22-9-1-7-19(18(22)27)8-2-10-23(19)17(26)15-11-20-12-21-16(15)25/h11-14,24H,1-10H2,(H,20,21,25).
What are the key properties of 9-(4-hydroxycyclohexyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
9-(4-hydroxycyclohexyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 374.44 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-hydroxycyclohexyl)-1-(6-oxo-1H-pyrimidine-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162638280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).