6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid

C13H19N3O2S — CID 114117674

IUPAC6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid
SMILESCSC1(CNc2nc(C)cc(C(=O)O)n2)CCCC1
InChIInChI=1S/C13H19N3O2S/c1-9-7-10(11(17)18)16-12(15-9)14-8-13(19-2)5-3-4-6-13/h7H,3-6,8H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyMSCJCUDXBJXYHB-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.57
Rot. Bonds5

About 6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid

6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid (PubChem CID 114117674) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid
PubChem CID114117674
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid
SMILESCSC1(CNc2nc(C)cc(C(=O)O)n2)CCCC1
InChIInChI=1S/C13H19N3O2S/c1-9-7-10(11(17)18)16-12(15-9)14-8-13(19-2)5-3-4-6-13/h7H,3-6,8H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyMSCJCUDXBJXYHB-UHFFFAOYSA-N
XLogP2.57
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carbonitrile
CID 114116293
6-methyl-2-(3-methylbut-2-enylamino)pyrimidine-4-carboxylic acid
CID 106197907
6-methyl-2-(2-methylprop-2-enylamino)pyrimidine-4-carboxylic acid
CID 107554495
6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carboxylic acid
CID 107553402
6-methyl-2-[(5-methylpyrazin-2-yl)methylamino]pyrimidine-4-carboxylic acid
CID 107553849
2-chloro-6-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyrimidin-4-amine
CID 114117339
2-(2,2-dicyclopropylethylamino)-6-methylpyrimidine-4-carboxylic acid
CID 107554108
6-[(1-methylsulfanylcyclohexyl)methylamino]pyridine-3-carboxylic acid
CID 114116581
2-(cyclopropanecarbonylamino)-6-methylpyrimidine-4-carboxylic acid
CID 67508732
2-(2-ethylsulfinylethylamino)-6-methylpyrimidine-4-carboxylic acid
CID 107554424
6-methyl-2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid
CID 106295667
2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553225

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid (CID 114117674) is 6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid is CSC1(CNc2nc(C)cc(C(=O)O)n2)CCCC1.
What is the InChIKey of 6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid?
The InChIKey is MSCJCUDXBJXYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-9-7-10(11(17)18)16-12(15-9)14-8-13(19-2)5-3-4-6-13/h7H,3-6,8H2,1-2H3,(H,17,18)(H,14,15,16).
What are the key properties of 6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid?
6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid has a molecular weight of 281.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 114117674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).