2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(thiolan-3-yl)pyrimidin-4-amine

C13H21N5S — CID 80995592

IUPAC2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(thiolan-3-yl)pyrimidin-4-amine
SMILESCc1c(NN)nc(C2CC2)nc1N(C)C1CCSC1
InChIInChI=1S/C13H21N5S/c1-8-11(17-14)15-12(9-3-4-9)16-13(8)18(2)10-5-6-19-7-10/h9-10H,3-7,14H2,1-2H3,(H,15,16,17)
InChIKeyNESXWNORNIKCRW-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.89
Rot. Bonds4

About 2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(thiolan-3-yl)pyrimidin-4-amine

2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(thiolan-3-yl)pyrimidin-4-amine (PubChem CID 80995592) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(thiolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(thiolan-3-yl)pyrimidin-4-amine
PubChem CID80995592
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Name2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(thiolan-3-yl)pyrimidin-4-amine
SMILESCc1c(NN)nc(C2CC2)nc1N(C)C1CCSC1
InChIInChI=1S/C13H21N5S/c1-8-11(17-14)15-12(9-3-4-9)16-13(8)18(2)10-5-6-19-7-10/h9-10H,3-7,14H2,1-2H3,(H,15,16,17)
InChIKeyNESXWNORNIKCRW-UHFFFAOYSA-N
XLogP1.89
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-hydrazinyl-N,5-dimethyl-2-propyl-N-(thiolan-3-yl)pyrimidin-4-amine
CID 80994402
2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-propan-2-ylpyrimidin-4-amine
CID 81000896
2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80995526
2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-pentan-2-ylpyrimidin-4-amine
CID 80995701
2-cyclopropyl-N-(3-fluorophenyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
CID 81007580
2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 81006384
2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 81005920
2-[cyclopentyl-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80994741
1-[[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114954212
3-[cyclopropyl-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanenitrile
CID 80994835
2-ethyl-6-hydrazinyl-N,5-dimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80994438
2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80995125

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(thiolan-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(thiolan-3-yl)pyrimidin-4-amine (CID 80995592) is 2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(thiolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(thiolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(thiolan-3-yl)pyrimidin-4-amine is Cc1c(NN)nc(C2CC2)nc1N(C)C1CCSC1.
What is the InChIKey of 2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(thiolan-3-yl)pyrimidin-4-amine?
The InChIKey is NESXWNORNIKCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-8-11(17-14)15-12(9-3-4-9)16-13(8)18(2)10-5-6-19-7-10/h9-10H,3-7,14H2,1-2H3,(H,15,16,17).
What are the key properties of 2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(thiolan-3-yl)pyrimidin-4-amine?
2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(thiolan-3-yl)pyrimidin-4-amine has a molecular weight of 279.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(thiolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 80995592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).