2-(4,6-dimethylpyrimidin-2-yl)-1-(2-methoxy-4-nitrophenyl)guanidine

C14H16N6O3 — CID 2883569

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-1-(2-methoxy-4-nitrophenyl)guanidine
SMILESCOc1cc([N+](=O)[O-])ccc1NC(N)=Nc1nc(C)cc(C)n1
InChIInChI=1S/C14H16N6O3/c1-8-6-9(2)17-14(16-8)19-13(15)18-11-5-4-10(20(21)22)7-12(11)23-3/h4-7H,1-3H3,(H3,15,16,17,18,19)
InChIKeyPBQPBKQXIOQFIV-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.07
Rot. Bonds4

About 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-methoxy-4-nitrophenyl)guanidine

2-(4,6-dimethylpyrimidin-2-yl)-1-(2-methoxy-4-nitrophenyl)guanidine (PubChem CID 2883569) has the molecular formula C14H16N6O3 and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-methoxy-4-nitrophenyl)guanidine.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-1-(2-methoxy-4-nitrophenyl)guanidine
PubChem CID2883569
Molecular FormulaC14H16N6O3
Molecular Weight316.32 g/mol
Exact Mass316.13
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-1-(2-methoxy-4-nitrophenyl)guanidine
SMILESCOc1cc([N+](=O)[O-])ccc1NC(N)=Nc1nc(C)cc(C)n1
InChIInChI=1S/C14H16N6O3/c1-8-6-9(2)17-14(16-8)19-13(15)18-11-5-4-10(20(21)22)7-12(11)23-3/h4-7H,1-3H3,(H3,15,16,17,18,19)
InChIKeyPBQPBKQXIOQFIV-UHFFFAOYSA-N
XLogP2.07
TPSA128.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

N-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224349
N'-(2-amino-5-methylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108513088
1-(5-cyclohexyl-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
CID 58638779
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108513016
2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 4285710
(2S)-2-amino-N-(2-methoxy-4-nitrophenyl)-3-methylbutanamide
CID 61179494
N'-(3,5-dimethylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108513035
(2-methoxy-4-nitrophenyl)hydrazine;phosphoric acid
CID 138619587
1-ethyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108890439
1-N,3-N-bis(2-methoxy-4-nitrophenyl)benzene-1,3-dicarboxamide
CID 4588723
1-(4-methoxy-2-methylphenyl)-3-(2-methoxy-4-nitrophenyl)urea
CID 17381058

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-methoxy-4-nitrophenyl)guanidine?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-methoxy-4-nitrophenyl)guanidine (CID 2883569) is 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-methoxy-4-nitrophenyl)guanidine.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-methoxy-4-nitrophenyl)guanidine?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-methoxy-4-nitrophenyl)guanidine is COc1cc([N+](=O)[O-])ccc1NC(N)=Nc1nc(C)cc(C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-methoxy-4-nitrophenyl)guanidine?
The InChIKey is PBQPBKQXIOQFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O3/c1-8-6-9(2)17-14(16-8)19-13(15)18-11-5-4-10(20(21)22)7-12(11)23-3/h4-7H,1-3H3,(H3,15,16,17,18,19).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-methoxy-4-nitrophenyl)guanidine?
2-(4,6-dimethylpyrimidin-2-yl)-1-(2-methoxy-4-nitrophenyl)guanidine has a molecular weight of 316.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)-1-(2-methoxy-4-nitrophenyl)guanidine is sourced from PubChem (CID 2883569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).