N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine

C12H20N6S — CID 80904074

IUPACN-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(NN)cc(NC2CCN(C3CC3)C2)n1
InChIInChI=1S/C12H20N6S/c1-19-12-15-10(6-11(16-12)17-13)14-8-4-5-18(7-8)9-2-3-9/h6,8-9H,2-5,7,13H2,1H3,(H2,14,15,16,17)
InChIKeyXGPRTNAJXYQOTM-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.13
Rot. Bonds5

About N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine

N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80904074) has the molecular formula C12H20N6S and a molecular weight of 280.40 g/mol. Its IUPAC name is N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID80904074
Molecular FormulaC12H20N6S
Molecular Weight280.40 g/mol
Exact Mass280.15
IUPAC NameN-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(NN)cc(NC2CCN(C3CC3)C2)n1
InChIInChI=1S/C12H20N6S/c1-19-12-15-10(6-11(16-12)17-13)14-8-4-5-18(7-8)9-2-3-9/h6,8-9H,2-5,7,13H2,1H3,(H2,14,15,16,17)
InChIKeyXGPRTNAJXYQOTM-UHFFFAOYSA-N
XLogP1.13
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-2-methylsulfanylpyrimidin-4-amine
CID 80546981
N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775582
N-cyclohexyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80931790
6-N-methyl-4-N-(1-methylpyrrolidin-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80802965
N-(3,4-dimethylcyclohexyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80915423
4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80813937
2-tert-butyl-4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80968131
4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80813186
6-N-(1-cyclopropylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718149
4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934460
4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80954685
N-(1-cyclopropylpyrrolidin-3-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 62981119

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine (CID 80904074) is N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine is CSc1nc(NN)cc(NC2CCN(C3CC3)C2)n1.
What is the InChIKey of N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is XGPRTNAJXYQOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6S/c1-19-12-15-10(6-11(16-12)17-13)14-8-4-5-18(7-8)9-2-3-9/h6,8-9H,2-5,7,13H2,1H3,(H2,14,15,16,17).
What are the key properties of N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 280.40 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80904074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).