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

C13H23N5S — CID 80994402

IUPAC6-hydrazinyl-N,5-dimethyl-2-propyl-N-(thiolan-3-yl)pyrimidin-4-amine
SMILESCCCc1nc(NN)c(C)c(N(C)C2CCSC2)n1
InChIInChI=1S/C13H23N5S/c1-4-5-11-15-12(17-14)9(2)13(16-11)18(3)10-6-7-19-8-10/h10H,4-8,14H2,1-3H3,(H,15,16,17)
InChIKeyGRJWYIANJCJGCQ-UHFFFAOYSA-N
MW281.43 g/mol
LogP1.96
Rot. Bonds5

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

6-hydrazinyl-N,5-dimethyl-2-propyl-N-(thiolan-3-yl)pyrimidin-4-amine (PubChem CID 80994402) has the molecular formula C13H23N5S and a molecular weight of 281.43 g/mol. Its IUPAC name is 6-hydrazinyl-N,5-dimethyl-2-propyl-N-(thiolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N,5-dimethyl-2-propyl-N-(thiolan-3-yl)pyrimidin-4-amine
PubChem CID80994402
Molecular FormulaC13H23N5S
Molecular Weight281.43 g/mol
Exact Mass281.17
IUPAC Name6-hydrazinyl-N,5-dimethyl-2-propyl-N-(thiolan-3-yl)pyrimidin-4-amine
SMILESCCCc1nc(NN)c(C)c(N(C)C2CCSC2)n1
InChIInChI=1S/C13H23N5S/c1-4-5-11-15-12(17-14)9(2)13(16-11)18(3)10-6-7-19-8-10/h10H,4-8,14H2,1-3H3,(H,15,16,17)
InChIKeyGRJWYIANJCJGCQ-UHFFFAOYSA-N
XLogP1.96
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 51.96
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

2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(thiolan-3-yl)pyrimidin-4-amine
CID 80995592
2-ethyl-6-hydrazinyl-N,5-dimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80994438
4-N-cyclopentyl-6-N-ethyl-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80993281
N-cyclopropyl-6-hydrazinyl-5-methyl-N-(2-methylpropyl)-2-propylpyrimidin-4-amine
CID 81006373
N-(cyclopropylmethyl)-6-hydrazinyl-5-methyl-N-propan-2-yl-2-propylpyrimidin-4-amine
CID 81006046
3-[cyclobutyl-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 102875785
N-ethyl-6-hydrazinyl-5-methyl-N-(2-methylpropyl)-2-propylpyrimidin-4-amine
CID 80995591
N-cyclopropyl-N,2-diethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81001386
4-N-methyl-6-N,5-dipropyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
CID 80784672
3-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile
CID 81006300
2-ethyl-6-hydrazinyl-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine
CID 80937827
6-hydrazinyl-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
CID 81007299

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N,5-dimethyl-2-propyl-N-(thiolan-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N,5-dimethyl-2-propyl-N-(thiolan-3-yl)pyrimidin-4-amine (CID 80994402) is 6-hydrazinyl-N,5-dimethyl-2-propyl-N-(thiolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N,5-dimethyl-2-propyl-N-(thiolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N,5-dimethyl-2-propyl-N-(thiolan-3-yl)pyrimidin-4-amine is CCCc1nc(NN)c(C)c(N(C)C2CCSC2)n1.
What is the InChIKey of 6-hydrazinyl-N,5-dimethyl-2-propyl-N-(thiolan-3-yl)pyrimidin-4-amine?
The InChIKey is GRJWYIANJCJGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5S/c1-4-5-11-15-12(17-14)9(2)13(16-11)18(3)10-6-7-19-8-10/h10H,4-8,14H2,1-3H3,(H,15,16,17).
What are the key properties of 6-hydrazinyl-N,5-dimethyl-2-propyl-N-(thiolan-3-yl)pyrimidin-4-amine?
6-hydrazinyl-N,5-dimethyl-2-propyl-N-(thiolan-3-yl)pyrimidin-4-amine has a molecular weight of 281.43 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N,5-dimethyl-2-propyl-N-(thiolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 80994402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).