N-[(1-methylpyrazol-4-yl)methyl]-6-methylsulfanylpyrimidin-4-amine

C10H13N5S — CID 106972704

IUPACN-[(1-methylpyrazol-4-yl)methyl]-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(NCc2cnn(C)c2)ncn1
InChIInChI=1S/C10H13N5S/c1-15-6-8(5-14-15)4-11-9-3-10(16-2)13-7-12-9/h3,5-7H,4H2,1-2H3,(H,11,12,13)
InChIKeyHNDUNABLYHVLMY-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.54
Rot. Bonds4

About N-[(1-methylpyrazol-4-yl)methyl]-6-methylsulfanylpyrimidin-4-amine

N-[(1-methylpyrazol-4-yl)methyl]-6-methylsulfanylpyrimidin-4-amine (PubChem CID 106972704) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-6-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-6-methylsulfanylpyrimidin-4-amine
PubChem CID106972704
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(NCc2cnn(C)c2)ncn1
InChIInChI=1S/C10H13N5S/c1-15-6-8(5-14-15)4-11-9-3-10(16-2)13-7-12-9/h3,5-7H,4H2,1-2H3,(H,11,12,13)
InChIKeyHNDUNABLYHVLMY-UHFFFAOYSA-N
XLogP1.54
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80817082
6-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 66329179
4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]phenol
CID 106973079
5-bromo-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 115773970
4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 106972638
2-[(1-methylpyrazol-4-yl)methylamino]pyridine-4-carbonitrile
CID 55150359
1,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 19626325
6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine
CID 80853555
6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 106972699
N-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972533
6-methylsulfanyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 106972572
N-[2-(1-methylpyrazol-4-yl)ethyl]-6-propylpyrimidin-4-amine
CID 80689109

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-6-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-6-methylsulfanylpyrimidin-4-amine (CID 106972704) is N-[(1-methylpyrazol-4-yl)methyl]-6-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-6-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-6-methylsulfanylpyrimidin-4-amine is CSc1cc(NCc2cnn(C)c2)ncn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-6-methylsulfanylpyrimidin-4-amine?
The InChIKey is HNDUNABLYHVLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-15-6-8(5-14-15)4-11-9-3-10(16-2)13-7-12-9/h3,5-7H,4H2,1-2H3,(H,11,12,13).
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-6-methylsulfanylpyrimidin-4-amine?
N-[(1-methylpyrazol-4-yl)methyl]-6-methylsulfanylpyrimidin-4-amine has a molecular weight of 235.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-6-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 106972704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).