5-diazenyl-2-propylsulfanylpyrimidine-4,6-diamine

C7H12N6S — CID 144950117

IUPAC5-diazenyl-2-propylsulfanylpyrimidine-4,6-diamine
SMILES[H]/N=N/c1c(N)nc(SCCC)nc1N
InChIInChI=1S/C7H12N6S/c1-2-3-14-7-11-5(8)4(13-10)6(9)12-7/h10H,2-3H2,1H3,(H4,8,9,11,12)/b13-10+
InChIKeyFXVUKXZEQAABNY-JLHYYAGUSA-N
MW212.28 g/mol
LogP1.81
Rot. Bonds4

About 5-diazenyl-2-propylsulfanylpyrimidine-4,6-diamine

5-diazenyl-2-propylsulfanylpyrimidine-4,6-diamine (PubChem CID 144950117) has the molecular formula C7H12N6S and a molecular weight of 212.28 g/mol. Its IUPAC name is 5-diazenyl-2-propylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-diazenyl-2-propylsulfanylpyrimidine-4,6-diamine
PubChem CID144950117
Molecular FormulaC7H12N6S
Molecular Weight212.28 g/mol
Exact Mass212.08
IUPAC Name5-diazenyl-2-propylsulfanylpyrimidine-4,6-diamine
SMILES[H]/N=N/c1c(N)nc(SCCC)nc1N
InChIInChI=1S/C7H12N6S/c1-2-3-14-7-11-5(8)4(13-10)6(9)12-7/h10H,2-3H2,1H3,(H4,8,9,11,12)/b13-10+
InChIKeyFXVUKXZEQAABNY-JLHYYAGUSA-N
XLogP1.81
TPSA114.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-amino-6-ethyl-2-propylsulfanylpyrimidine-5-carbonitrile
CID 100775741
3-propylsulfanyl-2,4,7,8-tetrazabicyclo[4.2.0]octa-1,3,5,7-tetraen-5-amine
CID 123231335
4,5,6-trimethyl-2-propylsulfanylpyrimidine
CID 90393527
4-chloro-6-(methylideneamino)-2-propylsulfanylpyrimidin-5-amine
CID 118889125
5-[(3-methylcyclopentyl)methyldiazenyl]-4-N-phosphanyl-2-propylsulfanylpyrimidine-4,6-diamine
CID 138630907
2-propylsulfanyl-6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,5-diamine
CID 145185559
2-N,2-N-diethyl-6-propylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80888494
2-propylsulfanylpyrimidin-4-amine
CID 565451
5-nitro-2-propylsulfanylpyrimidin-4-amine
CID 142741629
4-N-(3-methylpentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine
CID 144529172
4-[2-(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)oxyethoxy]-6-chloro-2-propylsulfanylpyrimidin-5-amine
CID 163203070
6-[(3,4-difluorophenyl)methyl]-2-propylsulfanylpyrimidine-4,5-diamine
CID 161234449

Frequently Asked Questions

What is the IUPAC name of 5-diazenyl-2-propylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 5-diazenyl-2-propylsulfanylpyrimidine-4,6-diamine (CID 144950117) is 5-diazenyl-2-propylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-diazenyl-2-propylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 5-diazenyl-2-propylsulfanylpyrimidine-4,6-diamine is [H]/N=N/c1c(N)nc(SCCC)nc1N.
What is the InChIKey of 5-diazenyl-2-propylsulfanylpyrimidine-4,6-diamine?
The InChIKey is FXVUKXZEQAABNY-JLHYYAGUSA-N. The full InChI is InChI=1S/C7H12N6S/c1-2-3-14-7-11-5(8)4(13-10)6(9)12-7/h10H,2-3H2,1H3,(H4,8,9,11,12)/b13-10+.
What are the key properties of 5-diazenyl-2-propylsulfanylpyrimidine-4,6-diamine?
5-diazenyl-2-propylsulfanylpyrimidine-4,6-diamine has a molecular weight of 212.28 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diazenyl-2-propylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 144950117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).