5-iodo-6-methyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine

C14H15IN4O2 — CID 66305532

IUPAC5-iodo-6-methyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cccc([N+](=O)[O-])c2)nc(C)c1I
InChIInChI=1S/C14H15IN4O2/c1-3-7-16-14-12(15)9(2)17-13(18-14)10-5-4-6-11(8-10)19(20)21/h4-6,8H,3,7H2,1-2H3,(H,16,17,18)
InChIKeyIUTMPZFIDBTOAM-UHFFFAOYSA-N
MW398.20 g/mol
LogP3.79
Rot. Bonds5

About 5-iodo-6-methyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine

5-iodo-6-methyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine (PubChem CID 66305532) has the molecular formula C14H15IN4O2 and a molecular weight of 398.20 g/mol. Its IUPAC name is 5-iodo-6-methyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-methyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine
PubChem CID66305532
Molecular FormulaC14H15IN4O2
Molecular Weight398.20 g/mol
Exact Mass398.02
IUPAC Name5-iodo-6-methyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cccc([N+](=O)[O-])c2)nc(C)c1I
InChIInChI=1S/C14H15IN4O2/c1-3-7-16-14-12(15)9(2)17-13(18-14)10-5-4-6-11(8-10)19(20)21/h4-6,8H,3,7H2,1-2H3,(H,16,17,18)
InChIKeyIUTMPZFIDBTOAM-UHFFFAOYSA-N
XLogP3.79
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.20
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5,6-dimethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine
CID 62192565
5-bromo-N-ethyl-6-methyl-2-(3-nitrophenyl)pyrimidin-4-amine
CID 66305276
3-(3-nitrophenyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 55095768
6-ethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine
CID 62192344
5-iodo-6-methyl-N-propyl-2-pyridin-4-ylpyrimidin-4-amine
CID 66307120
2-(3,5-difluorophenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66307321
N-ethyl-5-iodo-6-methyl-2-(3-methylphenyl)pyrimidin-4-amine
CID 66304720
2-(furan-3-yl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66305936
2-(2,5-dimethylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66297674
2-(5-fluoro-2-methylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66305737
2-(3-fluorophenyl)-5-iodo-N,6-dipropylpyrimidin-4-amine
CID 66306993
N-[[5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62545156

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-methyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-iodo-6-methyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine (CID 66305532) is 5-iodo-6-methyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-methyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-methyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine is CCCNc1nc(-c2cccc([N+](=O)[O-])c2)nc(C)c1I.
What is the InChIKey of 5-iodo-6-methyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine?
The InChIKey is IUTMPZFIDBTOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN4O2/c1-3-7-16-14-12(15)9(2)17-13(18-14)10-5-4-6-11(8-10)19(20)21/h4-6,8H,3,7H2,1-2H3,(H,16,17,18).
What are the key properties of 5-iodo-6-methyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine?
5-iodo-6-methyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine has a molecular weight of 398.20 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66305532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).