N'-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmethanimidamide

C9H14N4O2 — CID 2801433

IUPACN'-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmethanimidamide
SMILESCOc1cc(OC)nc(N=CN(C)C)n1
InChIInChI=1S/C9H14N4O2/c1-13(2)6-10-9-11-7(14-3)5-8(12-9)15-4/h5-6H,1-4H3
InChIKeyVCLIUOYMFUWPAR-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.72
Rot. Bonds4

About N'-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmethanimidamide

N'-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmethanimidamide (PubChem CID 2801433) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N'-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmethanimidamide
PubChem CID2801433
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN'-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmethanimidamide
SMILESCOc1cc(OC)nc(N=CN(C)C)n1
InChIInChI=1S/C9H14N4O2/c1-13(2)6-10-9-11-7(14-3)5-8(12-9)15-4/h5-6H,1-4H3
InChIKeyVCLIUOYMFUWPAR-UHFFFAOYSA-N
XLogP0.72
TPSA59.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-Amino-4,6-dimethoxypyrimidine
CID 118946
2,6-Dimethoxy-4-aminopyrimidine
CID 76789
4,6-Dimethoxy-2-pyrimidinyl urea
CID 9837373
2,4-Dimethoxypyrimidine
CID 137976
4-Amino-6-methoxypyrimidine
CID 735731
N-(4,6-dimethoxypyrimidin-2-yl)acetamide
CID 934943
2,4,6-Trimethoxypyrimidine
CID 726938
2-Chloro-4,6-dimethoxypyrimidine
CID 5152323
4,6-Dimethoxypyrimidine-2-carbonitrile
CID 21466113
2,4-Diamino-6-methoxypyrimidine
CID 816925
N-(4,6-dimethoxypyrimidin-2-yl)propanamide
CID 942474
4,6-Dimethoxy-2-piperidin-1-ylpyrimidine
CID 90342172

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmethanimidamide (CID 2801433) is N'-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmethanimidamide is COc1cc(OC)nc(N=CN(C)C)n1.
What is the InChIKey of N'-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmethanimidamide?
The InChIKey is VCLIUOYMFUWPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-13(2)6-10-9-11-7(14-3)5-8(12-9)15-4/h5-6H,1-4H3.
What are the key properties of N'-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmethanimidamide?
N'-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmethanimidamide has a molecular weight of 210.24 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 2801433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).