2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-(3,4-difluorophenyl)acetamide

C20H27F2N5O3 — CID 34657636

IUPAC2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-(3,4-difluorophenyl)acetamide
SMILESCCCCn1c(N)c(N(CC(=O)Nc2ccc(F)c(F)c2)CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H27F2N5O3/c1-4-5-8-27-18(23)17(19(29)25-20(27)30)26(10-12(2)3)11-16(28)24-13-6-7-14(21)15(22)9-13/h6-7,9,12H,4-5,8,10-11,23H2,1-3H3,(H,24,28)(H,25,29,30)
InChIKeyQNRXWBGEGUYCTG-UHFFFAOYSA-N
MW423.46 g/mol
LogP2.30
Rot. Bonds9

About 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-(3,4-difluorophenyl)acetamide

2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-(3,4-difluorophenyl)acetamide (PubChem CID 34657636) has the molecular formula C20H27F2N5O3 and a molecular weight of 423.46 g/mol. Its IUPAC name is 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-(3,4-difluorophenyl)acetamide
PubChem CID34657636
Molecular FormulaC20H27F2N5O3
Molecular Weight423.46 g/mol
Exact Mass423.21
IUPAC Name2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-(3,4-difluorophenyl)acetamide
SMILESCCCCn1c(N)c(N(CC(=O)Nc2ccc(F)c(F)c2)CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H27F2N5O3/c1-4-5-8-27-18(23)17(19(29)25-20(27)30)26(10-12(2)3)11-16(28)24-13-6-7-14(21)15(22)9-13/h6-7,9,12H,4-5,8,10-11,23H2,1-3H3,(H,24,28)(H,25,29,30)
InChIKeyQNRXWBGEGUYCTG-UHFFFAOYSA-N
XLogP2.30
TPSA113.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-(3,4-difluorophenyl)acetamide with MolForge

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Related Compounds

2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 46582615
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 55590840
3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-(4-fluorophenyl)propanamide
CID 55852061
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(3-fluorophenyl)acetamide
CID 18136953
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(4-methylphenyl)acetamide
CID 46594509
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(3,5-difluorophenyl)acetamide
CID 18136988
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 55590987
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 29467605
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(4-cyanophenyl)acetamide
CID 112815851
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 55591122
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,5-difluoro-N-(2-methylpropyl)benzamide
CID 55376996
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-benzyl-N-ethylacetamide
CID 55591424

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-(3,4-difluorophenyl)acetamide (CID 34657636) is 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-(3,4-difluorophenyl)acetamide is CCCCn1c(N)c(N(CC(=O)Nc2ccc(F)c(F)c2)CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-(3,4-difluorophenyl)acetamide?
The InChIKey is QNRXWBGEGUYCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N5O3/c1-4-5-8-27-18(23)17(19(29)25-20(27)30)26(10-12(2)3)11-16(28)24-13-6-7-14(21)15(22)9-13/h6-7,9,12H,4-5,8,10-11,23H2,1-3H3,(H,24,28)(H,25,29,30).
What are the key properties of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-(3,4-difluorophenyl)acetamide?
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-(3,4-difluorophenyl)acetamide has a molecular weight of 423.46 g/mol, XLogP of 2.30, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 34657636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).