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

C17H21ClN4O3 — CID 121485968

IUPAC5-amino-N-[(2R)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
SMILESC=C1NC(=O)NC(C(=O)N[C@H](C)COc2cc(C)c(Cl)c(C)c2)=C1N
InChIInChI=1S/C17H21ClN4O3/c1-8-5-12(6-9(2)13(8)18)25-7-10(3)20-16(23)15-14(19)11(4)21-17(24)22-15/h5-6,10H,4,7,19H2,1-3H3,(H,20,23)(H2,21,22,24)/t10-/m1/s1
InChIKeyGZTUUDUXJXHYHI-SNVBAGLBSA-N
MW364.83 g/mol
LogP1.84
Rot. Bonds5

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

5-amino-N-[(2R)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide (PubChem CID 121485968) has the molecular formula C17H21ClN4O3 and a molecular weight of 364.83 g/mol. Its IUPAC name is 5-amino-N-[(2R)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(2R)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
PubChem CID121485968
Molecular FormulaC17H21ClN4O3
Molecular Weight364.83 g/mol
Exact Mass364.13
IUPAC Name5-amino-N-[(2R)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
SMILESC=C1NC(=O)NC(C(=O)N[C@H](C)COc2cc(C)c(Cl)c(C)c2)=C1N
InChIInChI=1S/C17H21ClN4O3/c1-8-5-12(6-9(2)13(8)18)25-7-10(3)20-16(23)15-14(19)11(4)21-17(24)22-15/h5-6,10H,4,7,19H2,1-3H3,(H,20,23)(H2,21,22,24)/t10-/m1/s1
InChIKeyGZTUUDUXJXHYHI-SNVBAGLBSA-N
XLogP1.84
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[(2R)-1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
CID 121486014
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-4-methylidene-2-oxo-N-[(2R)-1-(3-phenylphenoxy)propan-2-yl]-1H-pyrimidine-6-carboxamide
CID 121486001
5-amino-N-[1-(2,4-dichloro-6-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118574766
1-(4-chloro-3,5-dimethylphenoxy)-3-methylbutan-2-one
CID 78949200
N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2,5-dimethylbenzamide
CID 133163829
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108877926
1-benzhydryl-3-[(4-chloro-3,5-dimethylphenoxy)methyl]urea
CID 108877907
N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-3-methylbutanamide
CID 108538493
(4-chloro-3,5-dimethylphenyl) 2,2-dichloroacetate
CID 19170504
5-amino-N-[1-(4-chloro-3-fluorophenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118574706

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2R)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-N-[(2R)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide (CID 121485968) is 5-amino-N-[(2R)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[(2R)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-N-[(2R)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide is C=C1NC(=O)NC(C(=O)N[C@H](C)COc2cc(C)c(Cl)c(C)c2)=C1N.
What is the InChIKey of 5-amino-N-[(2R)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide?
The InChIKey is GZTUUDUXJXHYHI-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H21ClN4O3/c1-8-5-12(6-9(2)13(8)18)25-7-10(3)20-16(23)15-14(19)11(4)21-17(24)22-15/h5-6,10H,4,7,19H2,1-3H3,(H,20,23)(H2,21,22,24)/t10-/m1/s1.
What are the key properties of 5-amino-N-[(2R)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide?
5-amino-N-[(2R)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide has a molecular weight of 364.83 g/mol, XLogP of 1.84, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2R)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 121485968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).