4-(2-methylsulfanyl-4,5-dihydropyrimidin-6-yl)-1-propan-2-ylpyrazol-3-amine

C11H17N5S — CID 123607380

IUPAC4-(2-methylsulfanyl-4,5-dihydropyrimidin-6-yl)-1-propan-2-ylpyrazol-3-amine
SMILESCSC1=NCCC(c2cn(C(C)C)nc2N)=N1
InChIInChI=1S/C11H17N5S/c1-7(2)16-6-8(10(12)15-16)9-4-5-13-11(14-9)17-3/h6-7H,4-5H2,1-3H3,(H2,12,15)
InChIKeyJKBLBCRRBBUYDK-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.96
Rot. Bonds2

About 4-(2-methylsulfanyl-4,5-dihydropyrimidin-6-yl)-1-propan-2-ylpyrazol-3-amine

4-(2-methylsulfanyl-4,5-dihydropyrimidin-6-yl)-1-propan-2-ylpyrazol-3-amine (PubChem CID 123607380) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 4-(2-methylsulfanyl-4,5-dihydropyrimidin-6-yl)-1-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound Name4-(2-methylsulfanyl-4,5-dihydropyrimidin-6-yl)-1-propan-2-ylpyrazol-3-amine
PubChem CID123607380
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name4-(2-methylsulfanyl-4,5-dihydropyrimidin-6-yl)-1-propan-2-ylpyrazol-3-amine
SMILESCSC1=NCCC(c2cn(C(C)C)nc2N)=N1
InChIInChI=1S/C11H17N5S/c1-7(2)16-6-8(10(12)15-16)9-4-5-13-11(14-9)17-3/h6-7H,4-5H2,1-3H3,(H2,12,15)
InChIKeyJKBLBCRRBBUYDK-UHFFFAOYSA-N
XLogP1.96
TPSA68.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2-methylsulfanyl-4,5-dihydropyrimidin-6-yl)-1-propan-2-ylpyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-Aminopropyl)-1,2-dimethylpyrazol-2-ium-5-amine
CID 59731826
10-Propyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-amine
CID 143757773
5-Ethyl-8-propan-2-yl-3lambda3-ioda-2,4,8,9-tetrazabicyclo[4.3.0]nona-1(9),2,4,6-tetraene
CID 165130613
6-(1-Ethyl-3-iodopyrazol-4-yl)-2-methylsulfanyl-4,5-dihydropyrimidine
CID 166956818
1-Methyl-4-(1-methylpiperidin-2-yl)pyrazol-5-amine
CID 84075826
1-Methyl-4-(1-methylpiperidin-2-yl)pyrazol-3-amine
CID 84075827
6-(1-Propan-2-ylpyrazol-4-yl)-4,5-dihydropyridazin-3-amine
CID 108386088
4-Methyl-6-(1-propan-2-ylpyrazol-4-yl)-4,5-dihydropyridazin-3-amine
CID 108386100
4-(3-Aminopropyl)-1-cyclohexylpyrazol-5-amine
CID 115069379
4-(3-Aminopropyl)-1-propan-2-ylpyrazol-5-amine
CID 115069513
1-cyclopropyl-4-(2-methylpropyl)-1H-pyrazol-5-amine
CID 165443969
1,5-dimethyl-7H-pyrazolo[5,4-c]pyridazine-4-thione
CID 172408775

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfanyl-4,5-dihydropyrimidin-6-yl)-1-propan-2-ylpyrazol-3-amine?
The IUPAC name of 4-(2-methylsulfanyl-4,5-dihydropyrimidin-6-yl)-1-propan-2-ylpyrazol-3-amine (CID 123607380) is 4-(2-methylsulfanyl-4,5-dihydropyrimidin-6-yl)-1-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for 4-(2-methylsulfanyl-4,5-dihydropyrimidin-6-yl)-1-propan-2-ylpyrazol-3-amine?
The canonical SMILES for 4-(2-methylsulfanyl-4,5-dihydropyrimidin-6-yl)-1-propan-2-ylpyrazol-3-amine is CSC1=NCCC(c2cn(C(C)C)nc2N)=N1.
What is the InChIKey of 4-(2-methylsulfanyl-4,5-dihydropyrimidin-6-yl)-1-propan-2-ylpyrazol-3-amine?
The InChIKey is JKBLBCRRBBUYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-7(2)16-6-8(10(12)15-16)9-4-5-13-11(14-9)17-3/h6-7H,4-5H2,1-3H3,(H2,12,15).
What are the key properties of 4-(2-methylsulfanyl-4,5-dihydropyrimidin-6-yl)-1-propan-2-ylpyrazol-3-amine?
4-(2-methylsulfanyl-4,5-dihydropyrimidin-6-yl)-1-propan-2-ylpyrazol-3-amine has a molecular weight of 251.36 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfanyl-4,5-dihydropyrimidin-6-yl)-1-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 123607380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).