5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide

C21H22N4O3 — CID 121486001

IUPAC5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide
SMILESC=C1NC(=O)NC(C(=O)N[C@H](C)COc2cccc(-c3ccccc3)c2)=C1N
InChIInChI=1S/C21H22N4O3/c1-13(23-20(26)19-18(22)14(2)24-21(27)25-19)12-28-17-10-6-9-16(11-17)15-7-4-3-5-8-15/h3-11,13H,2,12,22H2,1H3,(H,23,26)(H2,24,25,27)/t13-/m1/s1
InChIKeyRGGDMGGJNBXOMP-CYBMUJFWSA-N
MW378.43 g/mol
LogP2.23
Rot. Bonds6

About 5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide

5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide (PubChem CID 121486001) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide
PubChem CID121486001
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide
SMILESC=C1NC(=O)NC(C(=O)N[C@H](C)COc2cccc(-c3ccccc3)c2)=C1N
InChIInChI=1S/C21H22N4O3/c1-13(23-20(26)19-18(22)14(2)24-21(27)25-19)12-28-17-10-6-9-16(11-17)15-7-4-3-5-8-15/h3-11,13H,2,12,22H2,1H3,(H,23,26)(H2,24,25,27)/t13-/m1/s1
InChIKeyRGGDMGGJNBXOMP-CYBMUJFWSA-N
XLogP2.23
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-methylidene-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide
CID 121485948
5-amino-N-[(2R)-1-(4-chloro-3-fluorophenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
CID 121485984
5-amino-N-[(2R)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
CID 121485968
5-amino-N-[(2R)-1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
CID 121486014
5-amino-N-[(1R)-1-[3-[1-[(2-cyanophenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
CID 121486038
[1-[3-[2-(2-methylprop-2-enoyloxy)-3-(3-phenylphenoxy)propoxy]phenoxy]-3-(3-phenylphenoxy)propan-2-yl] 2-methylprop-2-enoate
CID 23111057
N-(1-methoxypropan-2-yl)-3-phenylbenzamide;hydrochloride
CID 172776403
[1-(3-phenylphenoxy)-3-[3-[3-(3-phenylphenoxy)-2-prop-2-enoyloxypropoxy]phenoxy]propan-2-yl] prop-2-enoate
CID 23111038
2-fluoro-N-(1-phenoxypropan-2-yl)benzamide
CID 117061953
2,5-dimethyl-N-[(2R)-1-phenoxypropan-2-yl]benzamide
CID 94625056
2,4-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzamide
CID 94625096
3-(dimethylsulfamoyl)-N-[(2R)-1-phenoxypropan-2-yl]benzamide
CID 94625046

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide (CID 121486001) is 5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide is C=C1NC(=O)NC(C(=O)N[C@H](C)COc2cccc(-c3ccccc3)c2)=C1N.
What is the InChIKey of 5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide?
The InChIKey is RGGDMGGJNBXOMP-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13(23-20(26)19-18(22)14(2)24-21(27)25-19)12-28-17-10-6-9-16(11-17)15-7-4-3-5-8-15/h3-11,13H,2,12,22H2,1H3,(H,23,26)(H2,24,25,27)/t13-/m1/s1.
What are the key properties of 5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide?
5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 121486001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).