6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpyrimidine-2,4-dione

C17H20ClFN4O2 — CID 11314596

IUPAC6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccc(F)cc2Cl)c1=O
InChIInChI=1S/C17H20ClFN4O2/c1-21-16(24)8-15(22-6-2-3-13(20)10-22)23(17(21)25)9-11-4-5-12(19)7-14(11)18/h4-5,7-8,13H,2-3,6,9-10,20H2,1H3/t13-/m1/s1
InChIKeyMTYQPWCBXKEMEF-CYBMUJFWSA-N
MW366.82 g/mol
LogP1.32
Rot. Bonds3

About 6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpyrimidine-2,4-dione

6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpyrimidine-2,4-dione (PubChem CID 11314596) has the molecular formula C17H20ClFN4O2 and a molecular weight of 366.82 g/mol. Its IUPAC name is 6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpyrimidine-2,4-dione
PubChem CID11314596
Molecular FormulaC17H20ClFN4O2
Molecular Weight366.82 g/mol
Exact Mass366.13
IUPAC Name6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccc(F)cc2Cl)c1=O
InChIInChI=1S/C17H20ClFN4O2/c1-21-16(24)8-15(22-6-2-3-13(20)10-22)23(17(21)25)9-11-4-5-12(19)7-14(11)18/h4-5,7-8,13H,2-3,6,9-10,20H2,1H3/t13-/m1/s1
InChIKeyMTYQPWCBXKEMEF-CYBMUJFWSA-N
XLogP1.32
TPSA73.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.82
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpyrimidine-2,4-dione with MolForge

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Related Compounds

(R)-1-(2-chloro-6-fluorobenzyl)-3-(2-amino-2-phenylethyl)-5-(2-fluorophenyl)-6-methylpyrimidine-2,4(1H,3H)-dione
CID 10345138
6-[3-(R)-Aminopiperidin-1-yl]-1-(2-chloro-3,6-difluorobenzyl)-3-methyl-1H-pyrimidine-2,4-dione
CID 11176598
6-[3-(R)-Aminopiperidin-1-yl]-1-(2,5-dichlorobenzyl)-3-methyl-1H-pyrimidine-2,4-dione
CID 11222807
3-((R)-2-Amino-2-phenyl-ethyl)-1-(2-chloro-benzyl)-5-(2-fluoro-phenyl)-6-methyl-1H-pyrimidine-2,4-dione
CID 11261693
6-[3 (R)-Amino-piperidin-1-yl]-1-(2-chloro-5-fluoro-benzyl)-3-methyl-1H-pyrimidine-2,4-dione
CID 11303089
4-[(2-chloro-4-fluorophenyl)(phenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide
CID 44177478
3-[(2R)-2-amino-2-phenylethyl]-5-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[(2,6-difluorophenyl)methyl]-6-methylpyrimidine-2,4-dione
CID 53238731
3-[(2R)-2-amino-2-phenylethyl]-5-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-[(2,6-difluorophenyl)methyl]-6-methylpyrimidine-2,4-dione
CID 67142711
3-[(2R)-2-amino-2-phenylethyl]-5-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-[(2,6-difluorophenyl)methyl]-6-methylpyrimidine-2,4-dione
CID 67142985
6-[(3R)-3-aminopiperidin-1-yl]-3-benzyl-1-but-2-ynylpyrimidine-2,4-dione
CID 71731241
1-[1-[(2-Chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclohexylurea
CID 1450126
1-[1-[(2-Chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(phenylmethyl)urea
CID 1450131

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpyrimidine-2,4-dione?
The IUPAC name of 6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpyrimidine-2,4-dione (CID 11314596) is 6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpyrimidine-2,4-dione is Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccc(F)cc2Cl)c1=O.
What is the InChIKey of 6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpyrimidine-2,4-dione?
The InChIKey is MTYQPWCBXKEMEF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20ClFN4O2/c1-21-16(24)8-15(22-6-2-3-13(20)10-22)23(17(21)25)9-11-4-5-12(19)7-14(11)18/h4-5,7-8,13H,2-3,6,9-10,20H2,1H3/t13-/m1/s1.
What are the key properties of 6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpyrimidine-2,4-dione?
6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpyrimidine-2,4-dione has a molecular weight of 366.82 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 11314596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).