3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide

C12H21N5O3 — CID 115354893

IUPAC3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(C)/C(N)=N/O)c1nc(OC)cc(OC)n1
InChIInChI=1S/C12H21N5O3/c1-5-17(7-8(2)11(13)16-18)12-14-9(19-3)6-10(15-12)20-4/h6,8,18H,5,7H2,1-4H3,(H2,13,16)
InChIKeyQSVWJTSTEBIBTN-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.70
Rot. Bonds7

About 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide

3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 115354893) has the molecular formula C12H21N5O3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID115354893
Molecular FormulaC12H21N5O3
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Name3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(C)/C(N)=N/O)c1nc(OC)cc(OC)n1
InChIInChI=1S/C12H21N5O3/c1-5-17(7-8(2)11(13)16-18)12-14-9(19-3)6-10(15-12)20-4/h6,8,18H,5,7H2,1-4H3,(H2,13,16)
InChIKeyQSVWJTSTEBIBTN-UHFFFAOYSA-N
XLogP0.70
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[ethyl-(5-methylpyridazin-3-yl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 106549390
2-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]acetic acid
CID 115354708
3-[ethyl-(1-methylimidazol-2-yl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76936481
N-(2-chloroethyl)-N-ethyl-4,6-dimethoxypyrimidin-2-amine
CID 115355694
3-[1,3-benzoxazol-2-yl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 54987730
3-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 105366621
3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 54992230
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-4-methoxybenzamide
CID 76910706
3-[ethyl(4-methoxybutan-2-yl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 104881692
methyl 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]propanoate
CID 113293035
4-[(3-amino-3-hydroxyimino-2-methylpropyl)-ethylamino]-N,N-dimethylpyridine-2-carboxamide
CID 76910339
3-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910382

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide (CID 115354893) is 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide is CCN(CC(C)/C(N)=N/O)c1nc(OC)cc(OC)n1.
What is the InChIKey of 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is QSVWJTSTEBIBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3/c1-5-17(7-8(2)11(13)16-18)12-14-9(19-3)6-10(15-12)20-4/h6,8,18H,5,7H2,1-4H3,(H2,13,16).
What are the key properties of 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide?
3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 283.33 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 115354893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).