6-amino-5-[butyl-[(2-chloro-6-fluorophenyl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione

C19H26ClFN4O2 — CID 55503793

IUPAC6-amino-5-[butyl-[(2-chloro-6-fluorophenyl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCCCCN(Cc1c(F)cccc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C19H26ClFN4O2/c1-4-5-9-24(11-13-14(20)7-6-8-15(13)21)16-17(22)25(10-12(2)3)19(27)23-18(16)26/h6-8,12H,4-5,9-11,22H2,1-3H3,(H,23,26,27)
InChIKeyPAUUYGGIBSWIOM-UHFFFAOYSA-N
MW396.89 g/mol
LogP3.37
Rot. Bonds8

About 6-amino-5-[butyl-[(2-chloro-6-fluorophenyl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione

6-amino-5-[butyl-[(2-chloro-6-fluorophenyl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 55503793) has the molecular formula C19H26ClFN4O2 and a molecular weight of 396.89 g/mol. Its IUPAC name is 6-amino-5-[butyl-[(2-chloro-6-fluorophenyl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[butyl-[(2-chloro-6-fluorophenyl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID55503793
Molecular FormulaC19H26ClFN4O2
Molecular Weight396.89 g/mol
Exact Mass396.17
IUPAC Name6-amino-5-[butyl-[(2-chloro-6-fluorophenyl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCCCCN(Cc1c(F)cccc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C19H26ClFN4O2/c1-4-5-9-24(11-13-14(20)7-6-8-15(13)21)16-17(22)25(10-12(2)3)19(27)23-18(16)26/h6-8,12H,4-5,9-11,22H2,1-3H3,(H,23,26,27)
InChIKeyPAUUYGGIBSWIOM-UHFFFAOYSA-N
XLogP3.37
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.89
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-amino-5-[butyl-[(2-chloro-6-fluorophenyl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione with MolForge

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Related Compounds

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-(2-chlorophenyl)propanamide
CID 31492440
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(3-chloro-2-methylanilino)acetamide
CID 4793250
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-phenylacetamide
CID 4825571
6-amino-5-[(3-fluorophenyl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 55591309
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,6-dimethylphenoxy)acetamide
CID 26211241
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-5-(4-chlorophenyl)thiophene-2-carboxamide
CID 55340602
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,4-difluorophenoxy)acetamide
CID 30853202
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2,6-dichlorophenyl)acetamide
CID 4816310
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 43059528
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-N-(1-naphthalen-2-ylethyl)acetamide
CID 55504703
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-fluorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide
CID 26183585
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-benzyl-N-butyl-5-oxopyrrolidine-3-carboxamide
CID 42999835

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[butyl-[(2-chloro-6-fluorophenyl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[butyl-[(2-chloro-6-fluorophenyl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 55503793) is 6-amino-5-[butyl-[(2-chloro-6-fluorophenyl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[butyl-[(2-chloro-6-fluorophenyl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[butyl-[(2-chloro-6-fluorophenyl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione is CCCCN(Cc1c(F)cccc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[butyl-[(2-chloro-6-fluorophenyl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is PAUUYGGIBSWIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClFN4O2/c1-4-5-9-24(11-13-14(20)7-6-8-15(13)21)16-17(22)25(10-12(2)3)19(27)23-18(16)26/h6-8,12H,4-5,9-11,22H2,1-3H3,(H,23,26,27).
What are the key properties of 6-amino-5-[butyl-[(2-chloro-6-fluorophenyl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-[butyl-[(2-chloro-6-fluorophenyl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 396.89 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[butyl-[(2-chloro-6-fluorophenyl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 55503793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).