7-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C14H21N5O2 — CID 72859767

IUPAC7-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCC(C)c1cc(N2CCC3(CN(C)C(=O)O3)C2)nc(N)n1
InChIInChI=1S/C14H21N5O2/c1-9(2)10-6-11(17-12(15)16-10)19-5-4-14(8-19)7-18(3)13(20)21-14/h6,9H,4-5,7-8H2,1-3H3,(H2,15,16,17)
InChIKeyUDFAFMOZNJPAMQ-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.21
Rot. Bonds2

About 7-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

7-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 72859767) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 7-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name7-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID72859767
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name7-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCC(C)c1cc(N2CCC3(CN(C)C(=O)O3)C2)nc(N)n1
InChIInChI=1S/C14H21N5O2/c1-9(2)10-6-11(17-12(15)16-10)19-5-4-14(8-19)7-18(3)13(20)21-14/h6,9H,4-5,7-8H2,1-3H3,(H2,15,16,17)
InChIKeyUDFAFMOZNJPAMQ-UHFFFAOYSA-N
XLogP1.21
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-7-(4-methylquinolin-2-yl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56888587
8-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 95893779
8-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70769161
(5S)-9-(4-amino-5-methylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95876803
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 53377888
(5S)-9-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95870692
(5R)-7-[3-(2-amino-6-methylpyrimidin-4-yl)benzoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125178317
3-methyl-7-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56899532
9-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2,6-dioxa-9-azaspiro[4.5]decane
CID 133493950
4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6-propan-2-ylpyrimidin-2-amine
CID 171446119
(5S)-3-methyl-9-(2-methylsulfanylpyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95715601
1-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-imidazo[1,5-a]pyridin-1-ylpiperidin-3-ol
CID 171445984

Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 7-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 72859767) is 7-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 7-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 7-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is CC(C)c1cc(N2CCC3(CN(C)C(=O)O3)C2)nc(N)n1.
What is the InChIKey of 7-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is UDFAFMOZNJPAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-9(2)10-6-11(17-12(15)16-10)19-5-4-14(8-19)7-18(3)13(20)21-14/h6,9H,4-5,7-8H2,1-3H3,(H2,15,16,17).
What are the key properties of 7-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
7-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 291.36 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 72859767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).