2-N-methyl-5-nitro-2-N-propylpyrimidine-2,4-diamine

C8H13N5O2 — CID 71945245

IUPAC2-N-methyl-5-nitro-2-N-propylpyrimidine-2,4-diamine
SMILESCCCN(C)c1ncc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C8H13N5O2/c1-3-4-12(2)8-10-5-6(13(14)15)7(9)11-8/h5H,3-4H2,1-2H3,(H2,9,10,11)
InChIKeyAWKMHNOGMFYZCG-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.81
Rot. Bonds4

About 2-N-methyl-5-nitro-2-N-propylpyrimidine-2,4-diamine

2-N-methyl-5-nitro-2-N-propylpyrimidine-2,4-diamine (PubChem CID 71945245) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-N-methyl-5-nitro-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-5-nitro-2-N-propylpyrimidine-2,4-diamine
PubChem CID71945245
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name2-N-methyl-5-nitro-2-N-propylpyrimidine-2,4-diamine
SMILESCCCN(C)c1ncc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C8H13N5O2/c1-3-4-12(2)8-10-5-6(13(14)15)7(9)11-8/h5H,3-4H2,1-2H3,(H2,9,10,11)
InChIKeyAWKMHNOGMFYZCG-UHFFFAOYSA-N
XLogP0.81
TPSA98.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.81
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

N-[3-[(4-amino-5-nitropyrimidin-2-yl)-methylamino]propyl]acetamide
CID 133303902
5-nitro-2-propylsulfanylpyrimidin-4-amine
CID 142741629
4-chloro-N-ethyl-N-methyl-5-nitropyrimidin-2-amine
CID 122400785
5-(4-methoxyphenyl)sulfonyl-2-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 53490770
5-(benzenesulfonyl)-2-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 53490688
5-nitro-2-N-pentan-3-ylpyrimidine-2,4-diamine
CID 47277206
N'-hydroxy-6-[methyl(propyl)amino]-5-nitropyridine-3-carboximidamide
CID 103470281
3-[2-[(4-amino-5-nitropyrimidin-2-yl)-ethylamino]-1-hydroxyethyl]phenol
CID 56761858
2-[(4-amino-5-nitropyrimidin-2-yl)amino]butan-1-ol
CID 52992955
6-methoxy-N-methyl-3-nitro-N-propylpyridin-2-amine
CID 58903907
2-N-[[2-(dimethylamino)phenyl]methyl]-5-nitropyrimidine-2,4-diamine
CID 86806521
2-N-cyclopropyl-2-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-5-nitropyrimidine-2,4-diamine
CID 99803886

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-5-nitro-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-5-nitro-2-N-propylpyrimidine-2,4-diamine (CID 71945245) is 2-N-methyl-5-nitro-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-5-nitro-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-5-nitro-2-N-propylpyrimidine-2,4-diamine is CCCN(C)c1ncc([N+](=O)[O-])c(N)n1.
What is the InChIKey of 2-N-methyl-5-nitro-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is AWKMHNOGMFYZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-3-4-12(2)8-10-5-6(13(14)15)7(9)11-8/h5H,3-4H2,1-2H3,(H2,9,10,11).
What are the key properties of 2-N-methyl-5-nitro-2-N-propylpyrimidine-2,4-diamine?
2-N-methyl-5-nitro-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 211.22 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-5-nitro-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 71945245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).