N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide

C21H30N4O2S — CID 78847828

IUPACN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCSc1nc(C(C)C)nc(C)c1C(=O)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C21H30N4O2S/c1-14(2)19-23-15(3)18(21(24-19)28-4)20(26)22-13-16(17-9-8-12-27-17)25-10-6-5-7-11-25/h8-9,12,14,16H,5-7,10-11,13H2,1-4H3,(H,22,26)
InChIKeyAGUOCDZIXGWQNB-UHFFFAOYSA-N
MW402.56 g/mol
LogP4.18
Rot. Bonds7

About N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 78847828) has the molecular formula C21H30N4O2S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
PubChem CID78847828
Molecular FormulaC21H30N4O2S
Molecular Weight402.56 g/mol
Exact Mass402.21
IUPAC NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCSc1nc(C(C)C)nc(C)c1C(=O)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C21H30N4O2S/c1-14(2)19-23-15(3)18(21(24-19)28-4)20(26)22-13-16(17-9-8-12-27-17)25-10-6-5-7-11-25/h8-9,12,14,16H,5-7,10-11,13H2,1-4H3,(H,22,26)
InChIKeyAGUOCDZIXGWQNB-UHFFFAOYSA-N
XLogP4.18
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 35576839
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylbenzamide
CID 2456837
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 34864710
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 94180275
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 26892301
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 26892299
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 18080011
5-chloro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 2494653
5-acetyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 131920266
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 4883742
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methylpyrazine-2-carboxamide
CID 2453107
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 26004114

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide (CID 78847828) is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide is CSc1nc(C(C)C)nc(C)c1C(=O)NCC(c1ccco1)N1CCCCC1.
What is the InChIKey of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is AGUOCDZIXGWQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2S/c1-14(2)19-23-15(3)18(21(24-19)28-4)20(26)22-13-16(17-9-8-12-27-17)25-10-6-5-7-11-25/h8-9,12,14,16H,5-7,10-11,13H2,1-4H3,(H,22,26).
What are the key properties of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide?
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 402.56 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 78847828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).