N,2,6-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide

C13H16N4OS — CID 95147887

IUPACN,2,6-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)[C@@H](C)c2nccs2)nc(C)n1
InChIInChI=1S/C13H16N4OS/c1-8-7-11(16-10(3)15-8)13(18)17(4)9(2)12-14-5-6-19-12/h5-7,9H,1-4H3/t9-/m0/s1
InChIKeyXIVZFHNGKFHBMI-VIFPVBQESA-N
MW276.37 g/mol
LogP2.38
Rot. Bonds3

About N,2,6-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide

N,2,6-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide (PubChem CID 95147887) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N,2,6-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,2,6-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide
PubChem CID95147887
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN,2,6-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)[C@@H](C)c2nccs2)nc(C)n1
InChIInChI=1S/C13H16N4OS/c1-8-7-11(16-10(3)15-8)13(18)17(4)9(2)12-14-5-6-19-12/h5-7,9H,1-4H3/t9-/m0/s1
InChIKeyXIVZFHNGKFHBMI-VIFPVBQESA-N
XLogP2.38
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2,6-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of N,2,6-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide (CID 95147887) is N,2,6-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N,2,6-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for N,2,6-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide is Cc1cc(C(=O)N(C)[C@@H](C)c2nccs2)nc(C)n1.
What is the InChIKey of N,2,6-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is XIVZFHNGKFHBMI-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16N4OS/c1-8-7-11(16-10(3)15-8)13(18)17(4)9(2)12-14-5-6-19-12/h5-7,9H,1-4H3/t9-/m0/s1.
What are the key properties of N,2,6-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide?
N,2,6-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 95147887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).