1-[3-[(1S,5R)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-3-oxopropyl]pyrimidine-2,4-dione

C19H26N6O3 — CID 72912470

IUPAC1-[3-[(1S,5R)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-3-oxopropyl]pyrimidine-2,4-dione
SMILESCc1[nH]cnc1CN1C[C@@H]2CC[C@H](C1)N(C(=O)CCn1ccc(=O)[nH]c1=O)C2
InChIInChI=1S/C19H26N6O3/c1-13-16(21-12-20-13)11-23-8-14-2-3-15(10-23)25(9-14)18(27)5-7-24-6-4-17(26)22-19(24)28/h4,6,12,14-15H,2-3,5,7-11H2,1H3,(H,20,21)(H,22,26,28)/t14-,15+/m0/s1
InChIKeyVKOXEUAMSIGRCF-LSDHHAIUSA-N
MW386.46 g/mol
LogP0.08
Rot. Bonds5

About 1-[3-[(1S,5R)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-3-oxopropyl]pyrimidine-2,4-dione

1-[3-[(1S,5R)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-3-oxopropyl]pyrimidine-2,4-dione (PubChem CID 72912470) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-[3-[(1S,5R)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-3-oxopropyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-[(1S,5R)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-3-oxopropyl]pyrimidine-2,4-dione
PubChem CID72912470
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC Name1-[3-[(1S,5R)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-3-oxopropyl]pyrimidine-2,4-dione
SMILESCc1[nH]cnc1CN1C[C@@H]2CC[C@H](C1)N(C(=O)CCn1ccc(=O)[nH]c1=O)C2
InChIInChI=1S/C19H26N6O3/c1-13-16(21-12-20-13)11-23-8-14-2-3-15(10-23)25(9-14)18(27)5-7-24-6-4-17(26)22-19(24)28/h4,6,12,14-15H,2-3,5,7-11H2,1H3,(H,20,21)(H,22,26,28)/t14-,15+/m0/s1
InChIKeyVKOXEUAMSIGRCF-LSDHHAIUSA-N
XLogP0.08
TPSA107.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-[(1S,5R)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-3-oxopropyl]pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1S,5R)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-[(1S,5R)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-3-oxopropyl]pyrimidine-2,4-dione (CID 72912470) is 1-[3-[(1S,5R)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-3-oxopropyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-[(1S,5R)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-[(1S,5R)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-3-oxopropyl]pyrimidine-2,4-dione is Cc1[nH]cnc1CN1C[C@@H]2CC[C@H](C1)N(C(=O)CCn1ccc(=O)[nH]c1=O)C2.
What is the InChIKey of 1-[3-[(1S,5R)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The InChIKey is VKOXEUAMSIGRCF-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-13-16(21-12-20-13)11-23-8-14-2-3-15(10-23)25(9-14)18(27)5-7-24-6-4-17(26)22-19(24)28/h4,6,12,14-15H,2-3,5,7-11H2,1H3,(H,20,21)(H,22,26,28)/t14-,15+/m0/s1.
What are the key properties of 1-[3-[(1S,5R)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-3-oxopropyl]pyrimidine-2,4-dione?
1-[3-[(1S,5R)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-3-oxopropyl]pyrimidine-2,4-dione has a molecular weight of 386.46 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1S,5R)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-3-oxopropyl]pyrimidine-2,4-dione is sourced from PubChem (CID 72912470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).