4-N-[(1-methylsulfinylcyclopropyl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine

C12H16N6OS — CID 146091416

IUPAC4-N-[(1-methylsulfinylcyclopropyl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine
SMILESCS(=O)C1(CNc2ncnc(-n3cccn3)c2N)CC1
InChIInChI=1S/C12H16N6OS/c1-20(19)12(3-4-12)7-14-10-9(13)11(16-8-15-10)18-6-2-5-17-18/h2,5-6,8H,3-4,7,13H2,1H3,(H,14,15,16)
InChIKeyRPNANHOOMUWVAA-UHFFFAOYSA-N
MW292.37 g/mol
LogP0.57
Rot. Bonds5

About 4-N-[(1-methylsulfinylcyclopropyl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine

4-N-[(1-methylsulfinylcyclopropyl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine (PubChem CID 146091416) has the molecular formula C12H16N6OS and a molecular weight of 292.37 g/mol. Its IUPAC name is 4-N-[(1-methylsulfinylcyclopropyl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[(1-methylsulfinylcyclopropyl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine
PubChem CID146091416
Molecular FormulaC12H16N6OS
Molecular Weight292.37 g/mol
Exact Mass292.11
IUPAC Name4-N-[(1-methylsulfinylcyclopropyl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine
SMILESCS(=O)C1(CNc2ncnc(-n3cccn3)c2N)CC1
InChIInChI=1S/C12H16N6OS/c1-20(19)12(3-4-12)7-14-10-9(13)11(16-8-15-10)18-6-2-5-17-18/h2,5-6,8H,3-4,7,13H2,1H3,(H,14,15,16)
InChIKeyRPNANHOOMUWVAA-UHFFFAOYSA-N
XLogP0.57
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-methylsulfinylcyclopropyl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-[(1-methylsulfinylcyclopropyl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine (CID 146091416) is 4-N-[(1-methylsulfinylcyclopropyl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[(1-methylsulfinylcyclopropyl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[(1-methylsulfinylcyclopropyl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine is CS(=O)C1(CNc2ncnc(-n3cccn3)c2N)CC1.
What is the InChIKey of 4-N-[(1-methylsulfinylcyclopropyl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine?
The InChIKey is RPNANHOOMUWVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6OS/c1-20(19)12(3-4-12)7-14-10-9(13)11(16-8-15-10)18-6-2-5-17-18/h2,5-6,8H,3-4,7,13H2,1H3,(H,14,15,16).
What are the key properties of 4-N-[(1-methylsulfinylcyclopropyl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine?
4-N-[(1-methylsulfinylcyclopropyl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine has a molecular weight of 292.37 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-methylsulfinylcyclopropyl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 146091416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).