2-amino-4-methyl-6-[1-(4-phenylphenoxy)propyl]pyrimidine-5-carboxylic acid

C21H21N3O3 — CID 54850950

IUPAC2-amino-4-methyl-6-[1-(4-phenylphenoxy)propyl]pyrimidine-5-carboxylic acid
SMILESCCC(Oc1ccc(-c2ccccc2)cc1)c1nc(N)nc(C)c1C(=O)O
InChIInChI=1S/C21H21N3O3/c1-3-17(19-18(20(25)26)13(2)23-21(22)24-19)27-16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,17H,3H2,1-2H3,(H,25,26)(H2,22,23,24)
InChIKeyTZGYEKAQISEZLF-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.26
Rot. Bonds6

About 2-amino-4-methyl-6-[1-(4-phenylphenoxy)propyl]pyrimidine-5-carboxylic acid

2-amino-4-methyl-6-[1-(4-phenylphenoxy)propyl]pyrimidine-5-carboxylic acid (PubChem CID 54850950) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-amino-4-methyl-6-[1-(4-phenylphenoxy)propyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-methyl-6-[1-(4-phenylphenoxy)propyl]pyrimidine-5-carboxylic acid
PubChem CID54850950
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-amino-4-methyl-6-[1-(4-phenylphenoxy)propyl]pyrimidine-5-carboxylic acid
SMILESCCC(Oc1ccc(-c2ccccc2)cc1)c1nc(N)nc(C)c1C(=O)O
InChIInChI=1S/C21H21N3O3/c1-3-17(19-18(20(25)26)13(2)23-21(22)24-19)27-16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,17H,3H2,1-2H3,(H,25,26)(H2,22,23,24)
InChIKeyTZGYEKAQISEZLF-UHFFFAOYSA-N
XLogP4.26
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N,N,4-trimethyl-6-(1-phenoxypropyl)pyrimidine-5-carboxamide
CID 54852291
ethyl 2-amino-4-methyl-6-(1-phenoxyethyl)pyrimidine-5-carboxylate
CID 54851451
2-amino-N-ethyl-4-methyl-6-[1-(2-methylphenoxy)propyl]pyrimidine-5-carboxamide
CID 54853590
2-amino-4-[1-(2-methoxyphenoxy)ethyl]-6-methylpyrimidine-5-carboxylic acid
CID 54851712
ethyl 2-(4-phenylphenoxy)propanoate
CID 10956576
2-amino-4-(4-butan-2-yloxyphenyl)-6-methylpyrimidine-5-carbohydrazide
CID 54850729
2-amino-N,4-dimethyl-6-[(4-phenylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54854022
2-amino-4-methyl-6-(4-phenylphenyl)pyrimidine-5-carboxamide
CID 54850579
2-amino-4-[1-(4-ethylphenoxy)ethyl]-6-methylpyrimidine-5-carboxamide
CID 54850762
4-methyl-3-(4-phenylphenoxy)hexan-2-one
CID 67565039
2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxylic acid
CID 54850598
propan-2-yl (2S)-2-(4-phenylphenoxy)butanoate
CID 7672618

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-6-[1-(4-phenylphenoxy)propyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-amino-4-methyl-6-[1-(4-phenylphenoxy)propyl]pyrimidine-5-carboxylic acid (CID 54850950) is 2-amino-4-methyl-6-[1-(4-phenylphenoxy)propyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-amino-4-methyl-6-[1-(4-phenylphenoxy)propyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-amino-4-methyl-6-[1-(4-phenylphenoxy)propyl]pyrimidine-5-carboxylic acid is CCC(Oc1ccc(-c2ccccc2)cc1)c1nc(N)nc(C)c1C(=O)O.
What is the InChIKey of 2-amino-4-methyl-6-[1-(4-phenylphenoxy)propyl]pyrimidine-5-carboxylic acid?
The InChIKey is TZGYEKAQISEZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-3-17(19-18(20(25)26)13(2)23-21(22)24-19)27-16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,17H,3H2,1-2H3,(H,25,26)(H2,22,23,24).
What are the key properties of 2-amino-4-methyl-6-[1-(4-phenylphenoxy)propyl]pyrimidine-5-carboxylic acid?
2-amino-4-methyl-6-[1-(4-phenylphenoxy)propyl]pyrimidine-5-carboxylic acid has a molecular weight of 363.42 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-6-[1-(4-phenylphenoxy)propyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 54850950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).