6-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-1H-pyrimidine-2,4-dione

C13H18N4O3 — CID 56714088

IUPAC6-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCN1[C@H]2CC[C@@H]1CN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)CC2
InChIInChI=1S/C13H18N4O3/c1-16-8-2-3-9(16)7-17(5-4-8)12(19)10-6-11(18)15-13(20)14-10/h6,8-9H,2-5,7H2,1H3,(H2,14,15,18,20)/t8-,9+/m0/s1
InChIKeyUFHBCVLBYUGILD-DTWKUNHWSA-N
MW278.31 g/mol
LogP-0.63
Rot. Bonds1

About 6-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-1H-pyrimidine-2,4-dione

6-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 56714088) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 6-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID56714088
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name6-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCN1[C@H]2CC[C@@H]1CN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)CC2
InChIInChI=1S/C13H18N4O3/c1-16-8-2-3-9(16)7-17(5-4-8)12(19)10-6-11(18)15-13(20)14-10/h6,8-9H,2-5,7H2,1H3,(H2,14,15,18,20)/t8-,9+/m0/s1
InChIKeyUFHBCVLBYUGILD-DTWKUNHWSA-N
XLogP-0.63
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-{3-[(1S*,6R*)-3,9-diazabicyclo[4.2.1]non-9-yl]-3-oxopropyl}pyrimidine-2,4(1H,3H)-dione
CID 50981852
6-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 43595501
6-[(4-amino-1-azepanyl)carbonyl]-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
CID 56903254
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 61231819
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 61232850
6-(3-amino-8-azabicyclo[3.2.1]octane-8-carbonyl)-1H-pyrimidine-2,4-dione
CID 61235715
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 61237362
6-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 61515668
N-ethyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide
CID 63299699
2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide
CID 63300927
N-(azepan-3-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 64004081
N-(1-methyl-2-oxo-3-pyridinyl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 71984851

Frequently Asked Questions

What is the IUPAC name of 6-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-1H-pyrimidine-2,4-dione (CID 56714088) is 6-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-1H-pyrimidine-2,4-dione is CN1[C@H]2CC[C@@H]1CN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)CC2.
What is the InChIKey of 6-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is UFHBCVLBYUGILD-DTWKUNHWSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-16-8-2-3-9(16)7-17(5-4-8)12(19)10-6-11(18)15-13(20)14-10/h6,8-9H,2-5,7H2,1H3,(H2,14,15,18,20)/t8-,9+/m0/s1.
What are the key properties of 6-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-1H-pyrimidine-2,4-dione?
6-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 278.31 g/mol, XLogP of -0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 56714088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).