6-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine

C13H23N5S — CID 80927117

IUPAC6-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(NN)ncnc1NCC1(C)CCCS1
InChIInChI=1S/C13H23N5S/c1-9(2)10-11(16-8-17-12(10)18-14)15-7-13(3)5-4-6-19-13/h8-9H,4-7,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyUKUCMJWXTIULCQ-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.58
Rot. Bonds5

About 6-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine

6-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80927117) has the molecular formula C13H23N5S and a molecular weight of 281.43 g/mol. Its IUPAC name is 6-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
PubChem CID80927117
Molecular FormulaC13H23N5S
Molecular Weight281.43 g/mol
Exact Mass281.17
IUPAC Name6-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(NN)ncnc1NCC1(C)CCCS1
InChIInChI=1S/C13H23N5S/c1-9(2)10-11(16-8-17-12(10)18-14)15-7-13(3)5-4-6-19-13/h8-9H,4-7,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyUKUCMJWXTIULCQ-UHFFFAOYSA-N
XLogP2.58
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.58
H-Bond Donors ≤ 53
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

5-bromo-6-N-ethyl-4-N-[(2-methylthiolan-2-yl)methyl]pyrimidine-4,6-diamine
CID 114072574
7-methyl-N-[(2-methylthiolan-2-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 102686600
1-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80908970
5-fluoro-2-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-4-amine
CID 80926794
N-tert-butyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80930410
3,6-dimethyl-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine
CID 80725115
6-hydrazinyl-N,5-di(propan-2-yl)pyrimidin-4-amine
CID 80932454
N-[(2-methylthiolan-2-yl)methyl]-3-propan-2-yloxypyridin-2-amine
CID 113371002
5-bromo-2-N-[(2-methylthiolan-2-yl)methyl]pyridine-2,3-diamine
CID 80736906
5-bromo-3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine
CID 103582588
2-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80915508
6-hydrazinyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
CID 80897968

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine (CID 80927117) is 6-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine is CC(C)c1c(NN)ncnc1NCC1(C)CCCS1.
What is the InChIKey of 6-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is UKUCMJWXTIULCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5S/c1-9(2)10-11(16-8-17-12(10)18-14)15-7-13(3)5-4-6-19-13/h8-9H,4-7,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 6-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine?
6-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 281.43 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80927117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).