N,1,3-trimethyl-4-(pyrimidin-2-ylsulfanylmethyl)pyrazol-5-amine

C11H15N5S — CID 62189467

IUPACN,1,3-trimethyl-4-(pyrimidin-2-ylsulfanylmethyl)pyrazol-5-amine
SMILESCNc1c(CSc2ncccn2)c(C)nn1C
InChIInChI=1S/C11H15N5S/c1-8-9(10(12-2)16(3)15-8)7-17-11-13-5-4-6-14-11/h4-6,12H,7H2,1-3H3
InChIKeyOTTVYMIMGAMFNE-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.85
Rot. Bonds4

About N,1,3-trimethyl-4-(pyrimidin-2-ylsulfanylmethyl)pyrazol-5-amine

N,1,3-trimethyl-4-(pyrimidin-2-ylsulfanylmethyl)pyrazol-5-amine (PubChem CID 62189467) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is N,1,3-trimethyl-4-(pyrimidin-2-ylsulfanylmethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN,1,3-trimethyl-4-(pyrimidin-2-ylsulfanylmethyl)pyrazol-5-amine
PubChem CID62189467
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC NameN,1,3-trimethyl-4-(pyrimidin-2-ylsulfanylmethyl)pyrazol-5-amine
SMILESCNc1c(CSc2ncccn2)c(C)nn1C
InChIInChI=1S/C11H15N5S/c1-8-9(10(12-2)16(3)15-8)7-17-11-13-5-4-6-14-11/h4-6,12H,7H2,1-3H3
InChIKeyOTTVYMIMGAMFNE-UHFFFAOYSA-N
XLogP1.85
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,1,3-trimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine
CID 62189145
1-(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)-N-methylmethanamine
CID 63805670
4-[(2,5-dichlorophenyl)sulfanylmethyl]-N,1,3-trimethylpyrazol-5-amine
CID 55044896
N-[(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 63807050
4-[[5-(ethylamino)-1,3-dimethylpyrazol-4-yl]methylsulfanyl]phenol
CID 55044477
4-[(3,4-dimethylphenoxy)methyl]-N,1,3-trimethylpyrazol-5-amine
CID 55045017
1-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]pyridin-2-one
CID 62208487
3-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]-6-methylpyrimidin-4-one
CID 62193988
N,1,3-trimethyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyrazol-5-amine
CID 62195408
2-[cyanomethyl-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]amino]acetonitrile
CID 62182873
4-(tert-butylsulfanylmethyl)-1,3-dimethyl-N-propylpyrazol-5-amine
CID 55045129
[1,3-dimethyl-4-(2-methylpropylsulfanylmethyl)pyrazol-5-yl]hydrazine
CID 62252125

Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-4-(pyrimidin-2-ylsulfanylmethyl)pyrazol-5-amine?
The IUPAC name of N,1,3-trimethyl-4-(pyrimidin-2-ylsulfanylmethyl)pyrazol-5-amine (CID 62189467) is N,1,3-trimethyl-4-(pyrimidin-2-ylsulfanylmethyl)pyrazol-5-amine.
What is the SMILES notation for N,1,3-trimethyl-4-(pyrimidin-2-ylsulfanylmethyl)pyrazol-5-amine?
The canonical SMILES for N,1,3-trimethyl-4-(pyrimidin-2-ylsulfanylmethyl)pyrazol-5-amine is CNc1c(CSc2ncccn2)c(C)nn1C.
What is the InChIKey of N,1,3-trimethyl-4-(pyrimidin-2-ylsulfanylmethyl)pyrazol-5-amine?
The InChIKey is OTTVYMIMGAMFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-8-9(10(12-2)16(3)15-8)7-17-11-13-5-4-6-14-11/h4-6,12H,7H2,1-3H3.
What are the key properties of N,1,3-trimethyl-4-(pyrimidin-2-ylsulfanylmethyl)pyrazol-5-amine?
N,1,3-trimethyl-4-(pyrimidin-2-ylsulfanylmethyl)pyrazol-5-amine has a molecular weight of 249.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-4-(pyrimidin-2-ylsulfanylmethyl)pyrazol-5-amine is sourced from PubChem (CID 62189467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).