3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxybenzenecarboximidamide

C14H17N5O — CID 76979499

IUPAC3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxybenzenecarboximidamide
SMILESCc1cc(C)nc(N(C)c2cccc(C(N)=NO)c2)n1
InChIInChI=1S/C14H17N5O/c1-9-7-10(2)17-14(16-9)19(3)12-6-4-5-11(8-12)13(15)18-20/h4-8,20H,1-3H3,(H2,15,18)
InChIKeyOWGCEVOTYLQNSR-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.96
Rot. Bonds3

About 3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxybenzenecarboximidamide

3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxybenzenecarboximidamide (PubChem CID 76979499) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxybenzenecarboximidamide
PubChem CID76979499
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxybenzenecarboximidamide
SMILESCc1cc(C)nc(N(C)c2cccc(C(N)=NO)c2)n1
InChIInChI=1S/C14H17N5O/c1-9-7-10(2)17-14(16-9)19(3)12-6-4-5-11(8-12)13(15)18-20/h4-8,20H,1-3H3,(H2,15,18)
InChIKeyOWGCEVOTYLQNSR-UHFFFAOYSA-N
XLogP1.96
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N'-hydroxy-3-[methyl(1,3-thiazol-2-yl)amino]benzenecarboximidamide
CID 76979406
3-[1,3-benzoxazol-2-yl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76979454
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide
CID 76932829
3-[ethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76979490
N'-hydroxy-3-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]benzenecarboximidamide
CID 107304614
4-amino-6-(3-chloro-N-methylanilino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide
CID 136994735
3-[(3,5-difluoro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide
CID 115993911
3-N-(4,6-dimethylpyrimidin-2-yl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117044722
3-[butan-2-yl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 62971843
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76932856
N'-hydroxy-3-methylbenzenecarboximidamide
CID 162202893
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N,5-dimethylfuran-2-carboxamide
CID 76932906

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxybenzenecarboximidamide (CID 76979499) is 3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxybenzenecarboximidamide is Cc1cc(C)nc(N(C)c2cccc(C(N)=NO)c2)n1.
What is the InChIKey of 3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is OWGCEVOTYLQNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-9-7-10(2)17-14(16-9)19(3)12-6-4-5-11(8-12)13(15)18-20/h4-8,20H,1-3H3,(H2,15,18).
What are the key properties of 3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxybenzenecarboximidamide?
3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 271.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76979499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).