5-nitro-2-propylsulfanylpyrimidin-4-amine

C7H10N4O2S — CID 142741629

IUPAC5-nitro-2-propylsulfanylpyrimidin-4-amine
SMILESCCCSc1ncc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C7H10N4O2S/c1-2-3-14-7-9-4-5(11(12)13)6(8)10-7/h4H,2-3H2,1H3,(H2,8,9,10)
InChIKeyNLTQSFUBMOSAGH-UHFFFAOYSA-N
MW214.25 g/mol
LogP1.47
Rot. Bonds4

About 5-nitro-2-propylsulfanylpyrimidin-4-amine

5-nitro-2-propylsulfanylpyrimidin-4-amine (PubChem CID 142741629) has the molecular formula C7H10N4O2S and a molecular weight of 214.25 g/mol. Its IUPAC name is 5-nitro-2-propylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name5-nitro-2-propylsulfanylpyrimidin-4-amine
PubChem CID142741629
Molecular FormulaC7H10N4O2S
Molecular Weight214.25 g/mol
Exact Mass214.05
IUPAC Name5-nitro-2-propylsulfanylpyrimidin-4-amine
SMILESCCCSc1ncc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C7H10N4O2S/c1-2-3-14-7-9-4-5(11(12)13)6(8)10-7/h4H,2-3H2,1H3,(H2,8,9,10)
InChIKeyNLTQSFUBMOSAGH-UHFFFAOYSA-N
XLogP1.47
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(3,4-difluorophenyl)methyl]-5-nitro-2-propylsulfanylpyrimidine
CID 174874578
2-N-methyl-5-nitro-2-N-propylpyrimidine-2,4-diamine
CID 71945245
2-[[4-chloro-6-(dimethylamino)pyrimidin-5-yl]methylsulfanyl]-5-nitropyrimidin-4-amine
CID 122153866
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyrimidin-4-amine
CID 56761364
2-(3,4-dichlorophenyl)sulfanyl-5-nitropyrimidin-4-amine
CID 133324022
5-nitro-2-N-pentan-3-ylpyrimidine-2,4-diamine
CID 47277206
2-N-(3-methylsulfanylpropyl)-5-nitropyrimidine-2,4-diamine
CID 133305075
5-chloro-N'-(2-nitrobenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide
CID 35572796
2-[(4-amino-5-nitropyrimidin-2-yl)amino]butan-1-ol
CID 52992955
2-propylsulfanylpyrimidin-4-amine
CID 565451
(5-nitro-6-propylsulfanyl-2-pyridinyl)hydrazine
CID 80924423
5-nitro-6-pentylsulfanylpyridin-2-amine
CID 107765410

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-propylsulfanylpyrimidin-4-amine?
The IUPAC name of 5-nitro-2-propylsulfanylpyrimidin-4-amine (CID 142741629) is 5-nitro-2-propylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 5-nitro-2-propylsulfanylpyrimidin-4-amine?
The canonical SMILES for 5-nitro-2-propylsulfanylpyrimidin-4-amine is CCCSc1ncc([N+](=O)[O-])c(N)n1.
What is the InChIKey of 5-nitro-2-propylsulfanylpyrimidin-4-amine?
The InChIKey is NLTQSFUBMOSAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2S/c1-2-3-14-7-9-4-5(11(12)13)6(8)10-7/h4H,2-3H2,1H3,(H2,8,9,10).
What are the key properties of 5-nitro-2-propylsulfanylpyrimidin-4-amine?
5-nitro-2-propylsulfanylpyrimidin-4-amine has a molecular weight of 214.25 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-propylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 142741629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).