2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide

C20H26FN5O4 — CID 4784499

IUPAC2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)NCc2ccc(F)cc2)c1=O
InChIInChI=1S/C20H26FN5O4/c1-2-7-25-18(22)17(24-8-10-30-11-9-24)19(28)26(20(25)29)13-16(27)23-12-14-3-5-15(21)6-4-14/h3-6H,2,7-13,22H2,1H3,(H,23,27)
InChIKeyNLZVWOCYVACCIX-UHFFFAOYSA-N
MW419.46 g/mol
LogP0.29
Rot. Bonds7

About 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide

2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 4784499) has the molecular formula C20H26FN5O4 and a molecular weight of 419.46 g/mol. Its IUPAC name is 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID4784499
Molecular FormulaC20H26FN5O4
Molecular Weight419.46 g/mol
Exact Mass419.20
IUPAC Name2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)NCc2ccc(F)cc2)c1=O
InChIInChI=1S/C20H26FN5O4/c1-2-7-25-18(22)17(24-8-10-30-11-9-24)19(28)26(20(25)29)13-16(27)23-12-14-3-5-15(21)6-4-14/h3-6H,2,7-13,22H2,1H3,(H,23,27)
InChIKeyNLZVWOCYVACCIX-UHFFFAOYSA-N
XLogP0.29
TPSA111.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 2392273
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CID 2341173
6-Amino-1-benzyl-5-(benzylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2344558
6-Amino-1-benzyl-5-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-1,2,3,4-tetrahydropyrimidine-2,4-dione
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N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)cyclohexanecarboxamide
CID 4791347
2-[3-((S)-2-Morpholin-4-yl-acetylamino)-2-oxo-6-phenyl-2H-pyridin-1-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10481845
2-[(R)-3-(2,2-Dimethoxy-ethyl)-2,4,8-trioxo-6-phenyl-2,3,4,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-7-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10697956
2-[(R)-3-(2-Morpholin-4-yl-ethyl)-2,4,8-trioxo-6-phenyl-2,3,4,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-7-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10793294
6-Amino-1-benzyl-5-(dodecylamino)pyrimidine-2,4-dione
CID 11741734
3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-(3-methylpiperidin-1-yl)pyrimidine-2,4-dione
CID 67143514
3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-(4-methylpiperidin-1-yl)pyrimidine-2,4-dione
CID 67143567
3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-piperidin-1-ylpyrimidine-2,4-dione
CID 67144367

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide (CID 4784499) is 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide is CCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)NCc2ccc(F)cc2)c1=O.
What is the InChIKey of 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is NLZVWOCYVACCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O4/c1-2-7-25-18(22)17(24-8-10-30-11-9-24)19(28)26(20(25)29)13-16(27)23-12-14-3-5-15(21)6-4-14/h3-6H,2,7-13,22H2,1H3,(H,23,27).
What are the key properties of 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 419.46 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 4784499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).