2-cyclopropyl-N-dibenzofuran-3-ylpyrimidine-4-carboxamide

C20H15N3O2 — CID 86939315

IUPAC2-cyclopropyl-N-dibenzofuran-3-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)oc1ccccc12)c1ccnc(C2CC2)n1
InChIInChI=1S/C20H15N3O2/c24-20(16-9-10-21-19(23-16)12-5-6-12)22-13-7-8-15-14-3-1-2-4-17(14)25-18(15)11-13/h1-4,7-12H,5-6H2,(H,22,24)
InChIKeyDHBQCQPRCJJCSH-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.51
Rot. Bonds3

About 2-cyclopropyl-N-dibenzofuran-3-ylpyrimidine-4-carboxamide

2-cyclopropyl-N-dibenzofuran-3-ylpyrimidine-4-carboxamide (PubChem CID 86939315) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-cyclopropyl-N-dibenzofuran-3-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-dibenzofuran-3-ylpyrimidine-4-carboxamide
PubChem CID86939315
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name2-cyclopropyl-N-dibenzofuran-3-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)oc1ccccc12)c1ccnc(C2CC2)n1
InChIInChI=1S/C20H15N3O2/c24-20(16-9-10-21-19(23-16)12-5-6-12)22-13-7-8-15-14-3-1-2-4-17(14)25-18(15)11-13/h1-4,7-12H,5-6H2,(H,22,24)
InChIKeyDHBQCQPRCJJCSH-UHFFFAOYSA-N
XLogP4.51
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzofuran-3-ylcyclohexanecarboxamide
CID 2833464
2-cyclopropyl-N-[3-[ethyl(methyl)carbamoyl]phenyl]pyrimidine-4-carboxamide
CID 146087726
N-dibenzofuran-3-yl-3,4-dimethylbenzamide
CID 3259661
N-dibenzofuran-3-yl-4-phenylbenzamide
CID 3125062
1-dibenzofuran-3-yl-3-[3-(dibenzofuran-3-ylcarbamoylamino)phenyl]urea
CID 4639027
(2R)-N-dibenzofuran-3-yloxolane-2-carboxamide
CID 7269123
N-(4-bromo-2-chloro-6-methylphenyl)-2-cyclopropylpyrimidine-4-carboxamide
CID 86939331
1-(3-chlorophenyl)-3-dibenzofuran-3-ylurea
CID 3523584
N-dibenzofuran-3-yl-4-(imidazol-1-ylmethyl)benzamide
CID 94867844
N-dibenzofuran-3-yl-2,2-dimethylpropanamide
CID 15495610
(1R,6R)-6-(dibenzofuran-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 806478
2-methyl-N-(9-oxoxanthen-3-yl)benzamide
CID 23472165

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-dibenzofuran-3-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-dibenzofuran-3-ylpyrimidine-4-carboxamide (CID 86939315) is 2-cyclopropyl-N-dibenzofuran-3-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-dibenzofuran-3-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-dibenzofuran-3-ylpyrimidine-4-carboxamide is O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccnc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-dibenzofuran-3-ylpyrimidine-4-carboxamide?
The InChIKey is DHBQCQPRCJJCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-20(16-9-10-21-19(23-16)12-5-6-12)22-13-7-8-15-14-3-1-2-4-17(14)25-18(15)11-13/h1-4,7-12H,5-6H2,(H,22,24).
What are the key properties of 2-cyclopropyl-N-dibenzofuran-3-ylpyrimidine-4-carboxamide?
2-cyclopropyl-N-dibenzofuran-3-ylpyrimidine-4-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-dibenzofuran-3-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 86939315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).