N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)pyrimidine-4-carboxamide

C17H19N5O3 — CID 127043863

IUPACN-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)pyrimidine-4-carboxamide
SMILESCC(C)Oc1cc2c(cc1NC(=O)c1ccncn1)n(C)c(=O)n2C
InChIInChI=1S/C17H19N5O3/c1-10(2)25-15-8-14-13(21(3)17(24)22(14)4)7-12(15)20-16(23)11-5-6-18-9-19-11/h5-10H,1-4H3,(H,20,23)
InChIKeyFUVVWZHMXASIIY-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.71
Rot. Bonds4

About N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)pyrimidine-4-carboxamide

N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)pyrimidine-4-carboxamide (PubChem CID 127043863) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)pyrimidine-4-carboxamide
PubChem CID127043863
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC NameN-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)pyrimidine-4-carboxamide
SMILESCC(C)Oc1cc2c(cc1NC(=O)c1ccncn1)n(C)c(=O)n2C
InChIInChI=1S/C17H19N5O3/c1-10(2)25-15-8-14-13(21(3)17(24)22(14)4)7-12(15)20-16(23)11-5-6-18-9-19-11/h5-10H,1-4H3,(H,20,23)
InChIKeyFUVVWZHMXASIIY-UHFFFAOYSA-N
XLogP1.71
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)pyrimidine-4-carboxamide (CID 127043863) is N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)pyrimidine-4-carboxamide is CC(C)Oc1cc2c(cc1NC(=O)c1ccncn1)n(C)c(=O)n2C.
What is the InChIKey of N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)pyrimidine-4-carboxamide?
The InChIKey is FUVVWZHMXASIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-10(2)25-15-8-14-13(21(3)17(24)22(14)4)7-12(15)20-16(23)11-5-6-18-9-19-11/h5-10H,1-4H3,(H,20,23).
What are the key properties of N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)pyrimidine-4-carboxamide?
N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)pyrimidine-4-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 127043863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).