6-amino-3-ethyl-1-[(5-fluoro-2-pyridinyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;formamide

C20H27FN6O4 — CID 169167817

IUPAC6-amino-3-ethyl-1-[(5-fluoro-2-pyridinyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;formamide
SMILESCCn1c(=O)c(C(=O)CN2CCCCC2)c(N)n(Cc2ccc(F)cn2)c1=O.NC=O
InChIInChI=1S/C19H24FN5O3.CH3NO/c1-2-24-18(27)16(15(26)12-23-8-4-3-5-9-23)17(21)25(19(24)28)11-14-7-6-13(20)10-22-14;2-1-3/h6-7,10H,2-5,8-9,11-12,21H2,1H3;1H,(H2,2,3)
InChIKeyOQQPVPBPRBLXCN-UHFFFAOYSA-N
MW434.47 g/mol
LogP-0.04
Rot. Bonds6

About 6-amino-3-ethyl-1-[(5-fluoro-2-pyridinyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;formamide

6-amino-3-ethyl-1-[(5-fluoro-2-pyridinyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;formamide (PubChem CID 169167817) has the molecular formula C20H27FN6O4 and a molecular weight of 434.47 g/mol. Its IUPAC name is 6-amino-3-ethyl-1-[(5-fluoro-2-pyridinyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;formamide.

Molecular Properties

Compound Name6-amino-3-ethyl-1-[(5-fluoro-2-pyridinyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;formamide
PubChem CID169167817
Molecular FormulaC20H27FN6O4
Molecular Weight434.47 g/mol
Exact Mass434.21
IUPAC Name6-amino-3-ethyl-1-[(5-fluoro-2-pyridinyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;formamide
SMILESCCn1c(=O)c(C(=O)CN2CCCCC2)c(N)n(Cc2ccc(F)cn2)c1=O.NC=O
InChIInChI=1S/C19H24FN5O3.CH3NO/c1-2-24-18(27)16(15(26)12-23-8-4-3-5-9-23)17(21)25(19(24)28)11-14-7-6-13(20)10-22-14;2-1-3/h6-7,10H,2-5,8-9,11-12,21H2,1H3;1H,(H2,2,3)
InChIKeyOQQPVPBPRBLXCN-UHFFFAOYSA-N
XLogP-0.04
TPSA146.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-amino-1-[(2,4-difluorophenyl)methyl]-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione
CID 169167782
6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;1H-imidazole
CID 169167885
6-amino-1-benzyl-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;N-(2,2-dimethylpropyl)formamide
CID 169167959
6-amino-3-ethyl-1-(3-fluorophenyl)-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione
CID 169167848
6-amino-1-benzyl-5-[2-(4-benzylpiperazin-1-yl)acetyl]-3-ethylpyrimidine-2,4-dione
CID 2091532
6-amino-5-[2-(2-cyclobutylpiperidin-1-yl)acetyl]-3-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
CID 169167939
6-amino-5-[2-[(2R)-2-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]acetyl]-3-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
CID 169167799
(2R)-1-[2-[4-amino-1-ethyl-2,6-dioxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide
CID 169168003
(2R)-1-[2-[4-amino-1-ethyl-3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide
CID 169167858
6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-methylpiperidin-1-yl]acetyl]pyrimidine-2,4-dione
CID 2105210
6-amino-5-[2-(azocan-1-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 2682315
6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]pyrimidine-2,4-dione
CID 26006311

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-ethyl-1-[(5-fluoro-2-pyridinyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;formamide?
The IUPAC name of 6-amino-3-ethyl-1-[(5-fluoro-2-pyridinyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;formamide (CID 169167817) is 6-amino-3-ethyl-1-[(5-fluoro-2-pyridinyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;formamide.
What is the SMILES notation for 6-amino-3-ethyl-1-[(5-fluoro-2-pyridinyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;formamide?
The canonical SMILES for 6-amino-3-ethyl-1-[(5-fluoro-2-pyridinyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;formamide is CCn1c(=O)c(C(=O)CN2CCCCC2)c(N)n(Cc2ccc(F)cn2)c1=O.NC=O.
What is the InChIKey of 6-amino-3-ethyl-1-[(5-fluoro-2-pyridinyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;formamide?
The InChIKey is OQQPVPBPRBLXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O3.CH3NO/c1-2-24-18(27)16(15(26)12-23-8-4-3-5-9-23)17(21)25(19(24)28)11-14-7-6-13(20)10-22-14;2-1-3/h6-7,10H,2-5,8-9,11-12,21H2,1H3;1H,(H2,2,3).
What are the key properties of 6-amino-3-ethyl-1-[(5-fluoro-2-pyridinyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;formamide?
6-amino-3-ethyl-1-[(5-fluoro-2-pyridinyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;formamide has a molecular weight of 434.47 g/mol, XLogP of -0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-ethyl-1-[(5-fluoro-2-pyridinyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;formamide is sourced from PubChem (CID 169167817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).