2-chloro-4-hydrazinyl-N-methyl-6-methylsulfanylpyrimidin-5-amine

C6H10ClN5S — CID 88737474

IUPAC2-chloro-4-hydrazinyl-N-methyl-6-methylsulfanylpyrimidin-5-amine
SMILESCNc1c(NN)nc(Cl)nc1SC
InChIInChI=1S/C6H10ClN5S/c1-9-3-4(12-8)10-6(7)11-5(3)13-2/h9H,8H2,1-2H3,(H,10,11,12)
InChIKeyPENPBMOKVPPEPY-UHFFFAOYSA-N
MW219.70 g/mol
LogP1.18
Rot. Bonds3

About 2-chloro-4-hydrazinyl-N-methyl-6-methylsulfanylpyrimidin-5-amine

2-chloro-4-hydrazinyl-N-methyl-6-methylsulfanylpyrimidin-5-amine (PubChem CID 88737474) has the molecular formula C6H10ClN5S and a molecular weight of 219.70 g/mol. Its IUPAC name is 2-chloro-4-hydrazinyl-N-methyl-6-methylsulfanylpyrimidin-5-amine.

Molecular Properties

Compound Name2-chloro-4-hydrazinyl-N-methyl-6-methylsulfanylpyrimidin-5-amine
PubChem CID88737474
Molecular FormulaC6H10ClN5S
Molecular Weight219.70 g/mol
Exact Mass219.03
IUPAC Name2-chloro-4-hydrazinyl-N-methyl-6-methylsulfanylpyrimidin-5-amine
SMILESCNc1c(NN)nc(Cl)nc1SC
InChIInChI=1S/C6H10ClN5S/c1-9-3-4(12-8)10-6(7)11-5(3)13-2/h9H,8H2,1-2H3,(H,10,11,12)
InChIKeyPENPBMOKVPPEPY-UHFFFAOYSA-N
XLogP1.18
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.70
LogP ≤ 51.18
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

4H-Pyrimido(4,5-b)(1,4)thiazine-4,6(7H)-dione, 1,5-dihydro-, dihydrazone
CID 3043319
2,6-Bis(methylsulfanyl)pyrimidine-4,5-diamine
CID 239954
6-(Methylsulfanyl)pyrimidine-2,4,5-triamine
CID 267696
Pyrimidine, 5-amino-2-methyl-4-methylamino-6-methylthio-
CID 86178802
6-(Methylsulfanyl)pyrimidine-4,5-diamine
CID 248028
5-(Methylsulfanyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine
CID 266464
(4-Chloro-2-hydrazinyl-6-methylsulfanylpyrimidin-5-yl)hydrazine
CID 88738468
4-chloro-5-N-methyl-6-methylsulfanylpyrimidine-2,5-diamine
CID 88770287
2-chloro-5-N-methyl-6-methylsulfanylpyrimidine-4,5-diamine
CID 88802139
[5-amino-6-(methylamino)pyrimidin-4-yl] N-(methylamino)carbamodithioate
CID 88944026
4-N-methyl-6-methylsulfanylpyrimidine-2,4,5-triamine
CID 91618748
6-(2-Methylhydrazinyl)-2-methylsulfinylpyrimidine-4,5-diamine
CID 134299775

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-hydrazinyl-N-methyl-6-methylsulfanylpyrimidin-5-amine?
The IUPAC name of 2-chloro-4-hydrazinyl-N-methyl-6-methylsulfanylpyrimidin-5-amine (CID 88737474) is 2-chloro-4-hydrazinyl-N-methyl-6-methylsulfanylpyrimidin-5-amine.
What is the SMILES notation for 2-chloro-4-hydrazinyl-N-methyl-6-methylsulfanylpyrimidin-5-amine?
The canonical SMILES for 2-chloro-4-hydrazinyl-N-methyl-6-methylsulfanylpyrimidin-5-amine is CNc1c(NN)nc(Cl)nc1SC.
What is the InChIKey of 2-chloro-4-hydrazinyl-N-methyl-6-methylsulfanylpyrimidin-5-amine?
The InChIKey is PENPBMOKVPPEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN5S/c1-9-3-4(12-8)10-6(7)11-5(3)13-2/h9H,8H2,1-2H3,(H,10,11,12).
What are the key properties of 2-chloro-4-hydrazinyl-N-methyl-6-methylsulfanylpyrimidin-5-amine?
2-chloro-4-hydrazinyl-N-methyl-6-methylsulfanylpyrimidin-5-amine has a molecular weight of 219.70 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-hydrazinyl-N-methyl-6-methylsulfanylpyrimidin-5-amine is sourced from PubChem (CID 88737474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).