N-ethyl-6-methyl-2-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrimidin-4-amine

C12H17N5S — CID 80654720

IUPACN-ethyl-6-methyl-2-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrimidin-4-amine
SMILESCCNc1cc(C)nc(CSc2cnn(C)c2)n1
InChIInChI=1S/C12H17N5S/c1-4-13-11-5-9(2)15-12(16-11)8-18-10-6-14-17(3)7-10/h5-7H,4,8H2,1-3H3,(H,13,15,16)
InChIKeyVGLUKPCFZGIZGR-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.24
Rot. Bonds5

About N-ethyl-6-methyl-2-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrimidin-4-amine

N-ethyl-6-methyl-2-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrimidin-4-amine (PubChem CID 80654720) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is N-ethyl-6-methyl-2-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-methyl-2-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrimidin-4-amine
PubChem CID80654720
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC NameN-ethyl-6-methyl-2-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrimidin-4-amine
SMILESCCNc1cc(C)nc(CSc2cnn(C)c2)n1
InChIInChI=1S/C12H17N5S/c1-4-13-11-5-9(2)15-12(16-11)8-18-10-6-14-17(3)7-10/h5-7H,4,8H2,1-3H3,(H,13,15,16)
InChIKeyVGLUKPCFZGIZGR-UHFFFAOYSA-N
XLogP2.24
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221979
N-ethyl-6-methyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 65129176
N-ethyl-6-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 80655030
N-ethyl-6-(1-methylpyrazol-4-yl)sulfanyl-2-methylsulfanylpyrimidin-4-amine
CID 80892324
N-ethyl-2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine
CID 80653887
2-[(3-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80654807
2-[(4-fluorophenyl)sulfanylmethyl]-6-methyl-N-propylpyrimidin-4-amine
CID 66065324
2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one
CID 80654238
4-methyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80891725
N-ethyl-3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridin-2-amine
CID 62468038
N-ethyl-6-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine
CID 80945798
2-[(dimethylamino)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 79089446

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-2-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-methyl-2-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrimidin-4-amine (CID 80654720) is N-ethyl-6-methyl-2-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-methyl-2-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-methyl-2-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrimidin-4-amine is CCNc1cc(C)nc(CSc2cnn(C)c2)n1.
What is the InChIKey of N-ethyl-6-methyl-2-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrimidin-4-amine?
The InChIKey is VGLUKPCFZGIZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-4-13-11-5-9(2)15-12(16-11)8-18-10-6-14-17(3)7-10/h5-7H,4,8H2,1-3H3,(H,13,15,16).
What are the key properties of N-ethyl-6-methyl-2-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrimidin-4-amine?
N-ethyl-6-methyl-2-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrimidin-4-amine has a molecular weight of 263.37 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-2-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrimidin-4-amine is sourced from PubChem (CID 80654720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).