5-amino-N-[(2R)-1-(2-fluoro-5-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C15H17FN4O4 — CID 118580362

IUPAC5-amino-N-[(2R)-1-(2-fluoro-5-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCc1ccc(F)c(OC[C@@H](C)NC(=O)c2[nH]c(=O)[nH]c(=O)c2N)c1
InChIInChI=1S/C15H17FN4O4/c1-7-3-4-9(16)10(5-7)24-6-8(2)18-14(22)12-11(17)13(21)20-15(23)19-12/h3-5,8H,6,17H2,1-2H3,(H,18,22)(H2,19,20,21,23)/t8-/m1/s1
InChIKeyFMCSMGBJBUVCGX-MRVPVSSYSA-N
MW336.32 g/mol
LogP0.29
Rot. Bonds5

About 5-amino-N-[(2R)-1-(2-fluoro-5-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

5-amino-N-[(2R)-1-(2-fluoro-5-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 118580362) has the molecular formula C15H17FN4O4 and a molecular weight of 336.32 g/mol. Its IUPAC name is 5-amino-N-[(2R)-1-(2-fluoro-5-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(2R)-1-(2-fluoro-5-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID118580362
Molecular FormulaC15H17FN4O4
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC Name5-amino-N-[(2R)-1-(2-fluoro-5-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCc1ccc(F)c(OC[C@@H](C)NC(=O)c2[nH]c(=O)[nH]c(=O)c2N)c1
InChIInChI=1S/C15H17FN4O4/c1-7-3-4-9(16)10(5-7)24-6-8(2)18-14(22)12-11(17)13(21)20-15(23)19-12/h3-5,8H,6,17H2,1-2H3,(H,18,22)(H2,19,20,21,23)/t8-/m1/s1
InChIKeyFMCSMGBJBUVCGX-MRVPVSSYSA-N
XLogP0.29
TPSA130.07 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-amino-N-[(2R)-1-(2-fluoro-5-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide with MolForge

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Related Compounds

5-amino-N-[1-(3-fluoro-2-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118574913
5-amino-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118580361
methyl 2-[(2R)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propoxy]-6-fluorobenzoate
CID 118574874
5-amino-N-[1-(3-chloro-2-fluorophenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118574882
5-amino-N-[1-(4-chloro-3-fluorophenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118574706
5-amino-N-[1-[2-chloro-4-(trifluoromethyl)phenoxy]propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118574746
5-amino-N-[1-(2,4-dichloro-6-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118574766
3-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 64855623
1-fluoro-2-(2-fluoropropoxy)-4-methylbenzene
CID 134558934
5-amino-N-[(2R)-1-[(2Z,4E)-3-chloro-2-methoxyhepta-2,4-dien-4-yl]oxypropan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 129143503
1-(2-fluoro-5-methylphenoxy)propan-2-one
CID 64855614
4-amino-N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-carboxamide
CID 63103249

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2R)-1-(2-fluoro-5-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-N-[(2R)-1-(2-fluoro-5-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 118580362) is 5-amino-N-[(2R)-1-(2-fluoro-5-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[(2R)-1-(2-fluoro-5-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-N-[(2R)-1-(2-fluoro-5-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is Cc1ccc(F)c(OC[C@@H](C)NC(=O)c2[nH]c(=O)[nH]c(=O)c2N)c1.
What is the InChIKey of 5-amino-N-[(2R)-1-(2-fluoro-5-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is FMCSMGBJBUVCGX-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H17FN4O4/c1-7-3-4-9(16)10(5-7)24-6-8(2)18-14(22)12-11(17)13(21)20-15(23)19-12/h3-5,8H,6,17H2,1-2H3,(H,18,22)(H2,19,20,21,23)/t8-/m1/s1.
What are the key properties of 5-amino-N-[(2R)-1-(2-fluoro-5-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
5-amino-N-[(2R)-1-(2-fluoro-5-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 336.32 g/mol, XLogP of 0.29, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2R)-1-(2-fluoro-5-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 118580362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).