1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one

C15H23N5O2 — CID 97495795

IUPAC1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCCN1CCNC(=O)C12CCN(c1cc(OC)ncn1)CC2
InChIInChI=1S/C15H23N5O2/c1-3-20-9-6-16-14(21)15(20)4-7-19(8-5-15)12-10-13(22-2)18-11-17-12/h10-11H,3-9H2,1-2H3,(H,16,21)
InChIKeyOHXQXFKBDHCQSH-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.28
Rot. Bonds3

About 1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one

1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 97495795) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID97495795
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCCN1CCNC(=O)C12CCN(c1cc(OC)ncn1)CC2
InChIInChI=1S/C15H23N5O2/c1-3-20-9-6-16-14(21)15(20)4-7-19(8-5-15)12-10-13(22-2)18-11-17-12/h10-11H,3-9H2,1-2H3,(H,16,21)
InChIKeyOHXQXFKBDHCQSH-UHFFFAOYSA-N
XLogP0.28
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methoxypyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
CID 72709190
N-ethyl-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 32114116
2-[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 47073311
2-[4-[(4-Methoxypyrimidin-2-yl)amino]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 56821485
9-(6-Methoxypyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471367
9-(6-Methoxypyrimidin-4-yl)-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118740703
(3S)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 39830961
3-((4-Methoxypyrimidin-2-yl)amino)piperidin-2-one
CID 47476528
8-(4-Methoxypyrimidin-2-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 75396073
(6S)-4-(2,6-dimethoxypyrimidin-4-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97207038
N-{[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl}-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 131942741
1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 32173855

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one (CID 97495795) is 1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one is CCN1CCNC(=O)C12CCN(c1cc(OC)ncn1)CC2.
What is the InChIKey of 1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is OHXQXFKBDHCQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-3-20-9-6-16-14(21)15(20)4-7-19(8-5-15)12-10-13(22-2)18-11-17-12/h10-11H,3-9H2,1-2H3,(H,16,21).
What are the key properties of 1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one?
1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 305.38 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 97495795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).