N-[2-(furan-2-yl)-2-methylpropyl]pyrimidine-5-carboxamide

C13H15N3O2 — CID 110466865

IUPACN-[2-(furan-2-yl)-2-methylpropyl]pyrimidine-5-carboxamide
SMILESCC(C)(CNC(=O)c1cncnc1)c1ccco1
InChIInChI=1S/C13H15N3O2/c1-13(2,11-4-3-5-18-11)8-16-12(17)10-6-14-9-15-7-10/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyQQBREBHRRISOBR-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.78
Rot. Bonds4

About N-[2-(furan-2-yl)-2-methylpropyl]pyrimidine-5-carboxamide

N-[2-(furan-2-yl)-2-methylpropyl]pyrimidine-5-carboxamide (PubChem CID 110466865) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-methylpropyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-methylpropyl]pyrimidine-5-carboxamide
PubChem CID110466865
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[2-(furan-2-yl)-2-methylpropyl]pyrimidine-5-carboxamide
SMILESCC(C)(CNC(=O)c1cncnc1)c1ccco1
InChIInChI=1S/C13H15N3O2/c1-13(2,11-4-3-5-18-11)8-16-12(17)10-6-14-9-15-7-10/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyQQBREBHRRISOBR-UHFFFAOYSA-N
XLogP1.78
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)-2-methylpropyl]-2-methylpyrazole-3-carboxamide
CID 110467125
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
N-[2-(furan-2-yl)-2-hydroxypropyl]-4-pyridin-3-yloxybenzamide
CID 111481964
N-(4-hydroxy-2,2-dimethylbutyl)pyrimidine-5-carboxamide
CID 104629634
N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 69129380
N-[2-(furan-2-yl)-2-hydroxypropyl]pyrazine-2-carboxamide
CID 111481899
N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-4-phenylbenzamide
CID 95983664
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
CID 111482264
N-[2-(furan-2-yl)-2-hydroxypropyl]thiophene-3-carboxamide
CID 71782534
3-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
CID 111519619
N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 111482211
4-tert-butyl-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 121085441

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-methylpropyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-methylpropyl]pyrimidine-5-carboxamide (CID 110466865) is N-[2-(furan-2-yl)-2-methylpropyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-methylpropyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-methylpropyl]pyrimidine-5-carboxamide is CC(C)(CNC(=O)c1cncnc1)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-methylpropyl]pyrimidine-5-carboxamide?
The InChIKey is QQBREBHRRISOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-13(2,11-4-3-5-18-11)8-16-12(17)10-6-14-9-15-7-10/h3-7,9H,8H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(furan-2-yl)-2-methylpropyl]pyrimidine-5-carboxamide?
N-[2-(furan-2-yl)-2-methylpropyl]pyrimidine-5-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-methylpropyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 110466865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).