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

C15H16Cl2N4O4 — CID 118574766

IUPAC5-amino-N-[1-(2,4-dichloro-6-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCc1cc(Cl)cc(Cl)c1OCC(C)NC(=O)c1[nH]c(=O)[nH]c(=O)c1N
InChIInChI=1S/C15H16Cl2N4O4/c1-6-3-8(16)4-9(17)12(6)25-5-7(2)19-14(23)11-10(18)13(22)21-15(24)20-11/h3-4,7H,5,18H2,1-2H3,(H,19,23)(H2,20,21,22,24)
InChIKeyBNMSRQWTTYICAU-UHFFFAOYSA-N
MW387.22 g/mol
LogP1.46
Rot. Bonds5

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

5-amino-N-[1-(2,4-dichloro-6-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 118574766) has the molecular formula C15H16Cl2N4O4 and a molecular weight of 387.22 g/mol. Its IUPAC name is 5-amino-N-[1-(2,4-dichloro-6-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-[1-(2,4-dichloro-6-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID118574766
Molecular FormulaC15H16Cl2N4O4
Molecular Weight387.22 g/mol
Exact Mass386.05
IUPAC Name5-amino-N-[1-(2,4-dichloro-6-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCc1cc(Cl)cc(Cl)c1OCC(C)NC(=O)c1[nH]c(=O)[nH]c(=O)c1N
InChIInChI=1S/C15H16Cl2N4O4/c1-6-3-8(16)4-9(17)12(6)25-5-7(2)19-14(23)11-10(18)13(22)21-15(24)20-11/h3-4,7H,5,18H2,1-2H3,(H,19,23)(H2,20,21,22,24)
InChIKeyBNMSRQWTTYICAU-UHFFFAOYSA-N
XLogP1.46
TPSA130.07 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.22
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[1-(4-chloro-3-fluorophenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118574706
5-amino-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118580361
5-amino-N-[(2R)-1-(2-fluoro-5-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118580362
5-amino-N-[1-(3-chloro-2-fluorophenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118574882
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-(3-fluoro-2-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118574913
methyl 2-[(2R)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propoxy]-6-fluorobenzoate
CID 118574874
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
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 2357417
N-[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136710891
1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid
CID 54136497
N-(2-amino-4-chlorophenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 91689111

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(2,4-dichloro-6-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-N-[1-(2,4-dichloro-6-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 118574766) is 5-amino-N-[1-(2,4-dichloro-6-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[1-(2,4-dichloro-6-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-N-[1-(2,4-dichloro-6-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is Cc1cc(Cl)cc(Cl)c1OCC(C)NC(=O)c1[nH]c(=O)[nH]c(=O)c1N.
What is the InChIKey of 5-amino-N-[1-(2,4-dichloro-6-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is BNMSRQWTTYICAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O4/c1-6-3-8(16)4-9(17)12(6)25-5-7(2)19-14(23)11-10(18)13(22)21-15(24)20-11/h3-4,7H,5,18H2,1-2H3,(H,19,23)(H2,20,21,22,24).
What are the key properties of 5-amino-N-[1-(2,4-dichloro-6-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
5-amino-N-[1-(2,4-dichloro-6-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 387.22 g/mol, XLogP of 1.46, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(2,4-dichloro-6-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 118574766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).