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

C17H18N6O4 — CID 121486000

IUPAC5-amino-4-methylidene-N-[(2R)-1-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide
SMILESC=C1NC(=O)NC(C(=O)N[C@H](C)COc2ccccc2-c2nnco2)=C1N
InChIInChI=1S/C17H18N6O4/c1-9(20-15(24)14-13(18)10(2)21-17(25)22-14)7-26-12-6-4-3-5-11(12)16-23-19-8-27-16/h3-6,8-9H,2,7,18H2,1H3,(H,20,24)(H2,21,22,25)/t9-/m1/s1
InChIKeySRWRJRYYUCNADZ-SECBINFHSA-N
MW370.37 g/mol
LogP0.62
Rot. Bonds6

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

5-amino-4-methylidene-N-[(2R)-1-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide (PubChem CID 121486000) has the molecular formula C17H18N6O4 and a molecular weight of 370.37 g/mol. Its IUPAC name is 5-amino-4-methylidene-N-[(2R)-1-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-4-methylidene-N-[(2R)-1-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide
PubChem CID121486000
Molecular FormulaC17H18N6O4
Molecular Weight370.37 g/mol
Exact Mass370.14
IUPAC Name5-amino-4-methylidene-N-[(2R)-1-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide
SMILESC=C1NC(=O)NC(C(=O)N[C@H](C)COc2ccccc2-c2nnco2)=C1N
InChIInChI=1S/C17H18N6O4/c1-9(20-15(24)14-13(18)10(2)21-17(25)22-14)7-26-12-6-4-3-5-11(12)16-23-19-8-27-16/h3-6,8-9H,2,7,18H2,1H3,(H,20,24)(H2,21,22,25)/t9-/m1/s1
InChIKeySRWRJRYYUCNADZ-SECBINFHSA-N
XLogP0.62
TPSA144.40 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methylidene-N-[(2R)-1-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-4-methylidene-N-[(2R)-1-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide (CID 121486000) is 5-amino-4-methylidene-N-[(2R)-1-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-4-methylidene-N-[(2R)-1-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-4-methylidene-N-[(2R)-1-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide is C=C1NC(=O)NC(C(=O)N[C@H](C)COc2ccccc2-c2nnco2)=C1N.
What is the InChIKey of 5-amino-4-methylidene-N-[(2R)-1-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide?
The InChIKey is SRWRJRYYUCNADZ-SECBINFHSA-N. The full InChI is InChI=1S/C17H18N6O4/c1-9(20-15(24)14-13(18)10(2)21-17(25)22-14)7-26-12-6-4-3-5-11(12)16-23-19-8-27-16/h3-6,8-9H,2,7,18H2,1H3,(H,20,24)(H2,21,22,25)/t9-/m1/s1.
What are the key properties of 5-amino-4-methylidene-N-[(2R)-1-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide?
5-amino-4-methylidene-N-[(2R)-1-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide has a molecular weight of 370.37 g/mol, XLogP of 0.62, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methylidene-N-[(2R)-1-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-yl]-2-oxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 121486000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).