2-methyl-5-[[4-[(2-nitrophenoxy)methyl]triazol-1-yl]methyl]pyrimidin-4-amine

C15H15N7O3 — CID 57393357

IUPAC2-methyl-5-[[4-[(2-nitrophenoxy)methyl]triazol-1-yl]methyl]pyrimidin-4-amine
SMILESCc1ncc(Cn2cc(COc3ccccc3[N+](=O)[O-])nn2)c(N)n1
InChIInChI=1S/C15H15N7O3/c1-10-17-6-11(15(16)18-10)7-21-8-12(19-20-21)9-25-14-5-3-2-4-13(14)22(23)24/h2-6,8H,7,9H2,1H3,(H2,16,17,18)
InChIKeyFMLUASFPHYYMDD-UHFFFAOYSA-N
MW341.33 g/mol
LogP1.49
Rot. Bonds6

About 2-methyl-5-[[4-[(2-nitrophenoxy)methyl]triazol-1-yl]methyl]pyrimidin-4-amine

2-methyl-5-[[4-[(2-nitrophenoxy)methyl]triazol-1-yl]methyl]pyrimidin-4-amine (PubChem CID 57393357) has the molecular formula C15H15N7O3 and a molecular weight of 341.33 g/mol. Its IUPAC name is 2-methyl-5-[[4-[(2-nitrophenoxy)methyl]triazol-1-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-5-[[4-[(2-nitrophenoxy)methyl]triazol-1-yl]methyl]pyrimidin-4-amine
PubChem CID57393357
Molecular FormulaC15H15N7O3
Molecular Weight341.33 g/mol
Exact Mass341.12
IUPAC Name2-methyl-5-[[4-[(2-nitrophenoxy)methyl]triazol-1-yl]methyl]pyrimidin-4-amine
SMILESCc1ncc(Cn2cc(COc3ccccc3[N+](=O)[O-])nn2)c(N)n1
InChIInChI=1S/C15H15N7O3/c1-10-17-6-11(15(16)18-10)7-21-8-12(19-20-21)9-25-14-5-3-2-4-13(14)22(23)24/h2-6,8H,7,9H2,1H3,(H2,16,17,18)
InChIKeyFMLUASFPHYYMDD-UHFFFAOYSA-N
XLogP1.49
TPSA134.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]methyl benzoate
CID 155532388
[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]methyl 2-(2-chloro-4-nitrophenoxy)acetate
CID 90276808
1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-4-[(2-nitrophenoxy)methyl]triazole
CID 44582450
N-[3-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]propyl]-2-methoxybenzamide
CID 171349979
1-[(2-methyl-3-nitrophenyl)methyl]triazol-4-amine
CID 79542688
2-methyl-5-[[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]triazol-1-yl]methyl]pyrimidin-4-amine
CID 127030523
N-[[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]methyl]-3-chlorobenzamide
CID 90276764
N-[[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 90276806
6-amino-5-[(2-nitrophenoxy)methyl]-1H-pyrimidin-2-one
CID 57009311
6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-amine
CID 80654595
2-[(2-nitrophenoxy)methyl]imidazo[1,2-a]pyrimidine
CID 703407
4-[(5-fluoro-2-nitrophenoxy)methyl]-1-methyltriazole
CID 103866197

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[4-[(2-nitrophenoxy)methyl]triazol-1-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-5-[[4-[(2-nitrophenoxy)methyl]triazol-1-yl]methyl]pyrimidin-4-amine (CID 57393357) is 2-methyl-5-[[4-[(2-nitrophenoxy)methyl]triazol-1-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-5-[[4-[(2-nitrophenoxy)methyl]triazol-1-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-5-[[4-[(2-nitrophenoxy)methyl]triazol-1-yl]methyl]pyrimidin-4-amine is Cc1ncc(Cn2cc(COc3ccccc3[N+](=O)[O-])nn2)c(N)n1.
What is the InChIKey of 2-methyl-5-[[4-[(2-nitrophenoxy)methyl]triazol-1-yl]methyl]pyrimidin-4-amine?
The InChIKey is FMLUASFPHYYMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O3/c1-10-17-6-11(15(16)18-10)7-21-8-12(19-20-21)9-25-14-5-3-2-4-13(14)22(23)24/h2-6,8H,7,9H2,1H3,(H2,16,17,18).
What are the key properties of 2-methyl-5-[[4-[(2-nitrophenoxy)methyl]triazol-1-yl]methyl]pyrimidin-4-amine?
2-methyl-5-[[4-[(2-nitrophenoxy)methyl]triazol-1-yl]methyl]pyrimidin-4-amine has a molecular weight of 341.33 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[4-[(2-nitrophenoxy)methyl]triazol-1-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 57393357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).