6-methoxy-N,N-dimethylpyrimidine-4-carboximidamide

C8H12N4O — CID 102952969

IUPAC6-methoxy-N,N-dimethylpyrimidine-4-carboximidamide
SMILES[H]/N=C(/c1cc(OC)ncn1)N(C)C
InChIInChI=1S/C8H12N4O/c1-12(2)8(9)6-4-7(13-3)11-5-10-6/h4-5,9H,1-3H3/b9-8-
InChIKeyQSMJCOXSUQJACX-HJWRWDBZSA-N
MW180.21 g/mol
LogP0.37
Rot. Bonds2

About 6-methoxy-N,N-dimethylpyrimidine-4-carboximidamide

6-methoxy-N,N-dimethylpyrimidine-4-carboximidamide (PubChem CID 102952969) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 6-methoxy-N,N-dimethylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name6-methoxy-N,N-dimethylpyrimidine-4-carboximidamide
PubChem CID102952969
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name6-methoxy-N,N-dimethylpyrimidine-4-carboximidamide
SMILES[H]/N=C(/c1cc(OC)ncn1)N(C)C
InChIInChI=1S/C8H12N4O/c1-12(2)8(9)6-4-7(13-3)11-5-10-6/h4-5,9H,1-3H3/b9-8-
InChIKeyQSMJCOXSUQJACX-HJWRWDBZSA-N
XLogP0.37
TPSA62.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-methoxypyrimidine-4-carboximidate
CID 102952465
6-methoxypyrimidine-4-carboxylic acid
CID 3300297
3-methoxy-N,N-dimethyl-1,2-thiazole-5-carboximidamide
CID 130899428
3,4-dimethoxy-N,N-dimethylbenzenecarboximidamide
CID 63181250
(6-methoxypyrimidin-4-yl)-(1-methyltriazol-4-yl)methanone
CID 164663087
N-(3,5-dimethylphenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167280
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(6-methoxypyrimidin-4-yl)methanone
CID 102950039
O-(6-methoxypyrimidin-4-yl)hydroxylamine
CID 79421362
ethane;6-methoxypyrimidin-4-amine;molecular hydrogen
CID 164548833
(4-tert-butylphenyl)-(6-methoxypyrimidin-4-yl)methanone
CID 102949992
(4-methoxy-2,5-dimethylphenyl)-(6-methoxypyrimidin-4-yl)methanone
CID 102950174
N-ethyl-6-methoxy-N-phenylpyrimidine-4-carboxamide
CID 121167323

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,N-dimethylpyrimidine-4-carboximidamide?
The IUPAC name of 6-methoxy-N,N-dimethylpyrimidine-4-carboximidamide (CID 102952969) is 6-methoxy-N,N-dimethylpyrimidine-4-carboximidamide.
What is the SMILES notation for 6-methoxy-N,N-dimethylpyrimidine-4-carboximidamide?
The canonical SMILES for 6-methoxy-N,N-dimethylpyrimidine-4-carboximidamide is [H]/N=C(/c1cc(OC)ncn1)N(C)C.
What is the InChIKey of 6-methoxy-N,N-dimethylpyrimidine-4-carboximidamide?
The InChIKey is QSMJCOXSUQJACX-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H12N4O/c1-12(2)8(9)6-4-7(13-3)11-5-10-6/h4-5,9H,1-3H3/b9-8-.
What are the key properties of 6-methoxy-N,N-dimethylpyrimidine-4-carboximidamide?
6-methoxy-N,N-dimethylpyrimidine-4-carboximidamide has a molecular weight of 180.21 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,N-dimethylpyrimidine-4-carboximidamide is sourced from PubChem (CID 102952969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).