2-amino-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one

C13H21N5O — CID 135990233

IUPAC2-amino-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
SMILESCN1CCC2(CCN(c3cc(=O)[nH]c(N)n3)CC2)C1
InChIInChI=1S/C13H21N5O/c1-17-5-2-13(9-17)3-6-18(7-4-13)10-8-11(19)16-12(14)15-10/h8H,2-7,9H2,1H3,(H3,14,15,16,19)
InChIKeyZDHJKAOROYSGLR-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.27
Rot. Bonds1

About 2-amino-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one

2-amino-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one (PubChem CID 135990233) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-amino-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
PubChem CID135990233
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-amino-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
SMILESCN1CCC2(CCN(c3cc(=O)[nH]c(N)n3)CC2)C1
InChIInChI=1S/C13H21N5O/c1-17-5-2-13(9-17)3-6-18(7-4-13)10-8-11(19)16-12(14)15-10/h8H,2-7,9H2,1H3,(H3,14,15,16,19)
InChIKeyZDHJKAOROYSGLR-UHFFFAOYSA-N
XLogP0.27
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-2-(4-methylpiperidin-1-yl)pyrimidin-4(3H)-one
CID 135638182
6-Amino-2-(3-methyl-1-piperidinyl)-4(3H)-pyrimidinone
CID 135646473
4-(3,3,5,5-tetramethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136482268
4-amino-2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 173826212
4-amino-2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one
CID 173826255
6-Amino-2-(3,5-dimethylpiperidyl)-3-hydropyrimidin-4-one
CID 135629228
4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 135875006
4-amino-2-[(3R)-3-methylpiperidin-1-yl]-1H-pyrimidin-6-one
CID 135915930
4-amino-2-[(3S)-3-methylpiperidin-1-yl]-1H-pyrimidin-6-one
CID 135915931
4-amino-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one
CID 135953080
4-amino-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one
CID 135953081
4-amino-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one
CID 135953082

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one (CID 135990233) is 2-amino-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one is CN1CCC2(CCN(c3cc(=O)[nH]c(N)n3)CC2)C1.
What is the InChIKey of 2-amino-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one?
The InChIKey is ZDHJKAOROYSGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-17-5-2-13(9-17)3-6-18(7-4-13)10-8-11(19)16-12(14)15-10/h8H,2-7,9H2,1H3,(H3,14,15,16,19).
What are the key properties of 2-amino-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one?
2-amino-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135990233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).