N,N-dimethyl-2-[(1S,5R)-6-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide

C17H25N5O3 — CID 70758746

IUPACN,N-dimethyl-2-[(1S,5R)-6-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
SMILESCc1ncc(C(=O)N2C[C@H]3CC[C@@H]2CN(CC(=O)N(C)C)C3)c(=O)[nH]1
InChIInChI=1S/C17H25N5O3/c1-11-18-6-14(16(24)19-11)17(25)22-8-12-4-5-13(22)9-21(7-12)10-15(23)20(2)3/h6,12-13H,4-5,7-10H2,1-3H3,(H,18,19,24)/t12-,13+/m0/s1
InChIKeyCWPRGOAXJHKGSV-QWHCGFSZSA-N
MW347.42 g/mol
LogP-0.30
Rot. Bonds3

About N,N-dimethyl-2-[(1S,5R)-6-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide

N,N-dimethyl-2-[(1S,5R)-6-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide (PubChem CID 70758746) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[(1S,5R)-6-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(1S,5R)-6-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
PubChem CID70758746
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC NameN,N-dimethyl-2-[(1S,5R)-6-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
SMILESCc1ncc(C(=O)N2C[C@H]3CC[C@@H]2CN(CC(=O)N(C)C)C3)c(=O)[nH]1
InChIInChI=1S/C17H25N5O3/c1-11-18-6-14(16(24)19-11)17(25)22-8-12-4-5-13(22)9-21(7-12)10-15(23)20(2)3/h6,12-13H,4-5,7-10H2,1-3H3,(H,18,19,24)/t12-,13+/m0/s1
InChIKeyCWPRGOAXJHKGSV-QWHCGFSZSA-N
XLogP-0.30
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-{2-[(1R*,5R*)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]non-3-yl]-2-oxoethyl}-2-methyl-4(3H)-pyrimidinone
CID 133138353
5-[2-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
CID 70721718
2-methyl-5-{[(1R*,5R*)-6-(3-methyl-2-buten-1-yl)-3,6-diazabicyclo[3.2.2]non-3-yl]carbonyl}-4(3H)-pyrimidinone
CID 133135321
5-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1H-pyrimidin-6-one
CID 70714687
2-methyl-5-[(1R,5R)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1H-pyrimidin-6-one
CID 70719911
(1S*,5R*)-6-(cyclobutylmethyl)-3-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70736358
3-[(4-Hydroxy-2-methylpyrimidin-5-yl)carbonyl]-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 72839361
5-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 72875592
3-Butyl-4-[(4-hydroxy-2-methylpyrimidin-5-yl)carbonyl]-1-methylpiperazin-2-one
CID 72878704
(1R*,5R*)-N,N-dimethyl-6-[(6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 72922633
5-[(2R)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 97127640
5-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 97127641

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(1S,5R)-6-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(1S,5R)-6-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide (CID 70758746) is N,N-dimethyl-2-[(1S,5R)-6-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(1S,5R)-6-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(1S,5R)-6-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide is Cc1ncc(C(=O)N2C[C@H]3CC[C@@H]2CN(CC(=O)N(C)C)C3)c(=O)[nH]1.
What is the InChIKey of N,N-dimethyl-2-[(1S,5R)-6-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide?
The InChIKey is CWPRGOAXJHKGSV-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-11-18-6-14(16(24)19-11)17(25)22-8-12-4-5-13(22)9-21(7-12)10-15(23)20(2)3/h6,12-13H,4-5,7-10H2,1-3H3,(H,18,19,24)/t12-,13+/m0/s1.
What are the key properties of N,N-dimethyl-2-[(1S,5R)-6-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide?
N,N-dimethyl-2-[(1S,5R)-6-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide has a molecular weight of 347.42 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(1S,5R)-6-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide is sourced from PubChem (CID 70758746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).