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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Related Compounds

4-[(5-amino-6-pyrazol-1-ylpyrimidin-4-yl)amino]butanoic acid
CID 122058549
4-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine
CID 75442123
4-N-[2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine
CID 133366006
4-N-[(1-methylpiperidin-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine
CID 133454574
4-N-(1,3-benzodioxol-5-ylmethyl)-6-pyrazol-1-ylpyrimidine-4,5-diamine
CID 133365752
4-N-(dicyclopropylmethyl)-6-pyrazol-1-ylpyrimidine-4,5-diamine
CID 71850434
4-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine
CID 75399677
4-N-(1,3-dicyclopentylpropan-2-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine
CID 166340199
4-(4-methylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine
CID 133365798
5-methyl-6-pyrazol-1-ylpyrimidin-4-amine
CID 80853317
4-(4-benzhydrylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine
CID 133365860
4-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine
CID 133446354

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).