5-chloro-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide

C14H16ClN3O2 — CID 47459040

IUPAC5-chloro-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)NCCc2ccco2)n1
InChIInChI=1S/C14H16ClN3O2/c1-9(2)13-17-8-11(15)12(18-13)14(19)16-6-5-10-4-3-7-20-10/h3-4,7-9H,5-6H2,1-2H3,(H,16,19)
InChIKeyQDBHYBVLBFWKDE-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.82
Rot. Bonds5

About 5-chloro-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide

5-chloro-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 47459040) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 5-chloro-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID47459040
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name5-chloro-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)NCCc2ccco2)n1
InChIInChI=1S/C14H16ClN3O2/c1-9(2)13-17-8-11(15)12(18-13)14(19)16-6-5-10-4-3-7-20-10/h3-4,7-9H,5-6H2,1-2H3,(H,16,19)
InChIKeyQDBHYBVLBFWKDE-UHFFFAOYSA-N
XLogP2.82
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide
CID 47459215
5-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 103744013
N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119382250
5-chloro-N-(5-hydroxypentyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 107317162
5-chloro-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62020193
5-chloro-N-[2-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 107236571
N-[2-(furan-2-yl)ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 113436120
N-[2-(furan-2-yl)ethyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 74233042
5-chloro-N-[2-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 55047426
5-chloro-N-(furan-2-ylmethyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 6463310
N-[2-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 110745469
5-chloro-N-[2-(cycloheptylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119619321

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide (CID 47459040) is 5-chloro-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1ncc(Cl)c(C(=O)NCCc2ccco2)n1.
What is the InChIKey of 5-chloro-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is QDBHYBVLBFWKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-9(2)13-17-8-11(15)12(18-13)14(19)16-6-5-10-4-3-7-20-10/h3-4,7-9H,5-6H2,1-2H3,(H,16,19).
What are the key properties of 5-chloro-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide?
5-chloro-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 293.75 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 47459040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).