2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N'-hydroxypropanimidamide

C13H22N6O — CID 77012254

IUPAC2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N'-hydroxypropanimidamide
SMILESCc1cc(N2CCN(C(C)C(N)=NO)CC2)nc(C)n1
InChIInChI=1S/C13H22N6O/c1-9-8-12(16-11(3)15-9)19-6-4-18(5-7-19)10(2)13(14)17-20/h8,10,20H,4-7H2,1-3H3,(H2,14,17)
InChIKeyRRFJLXWTRDYPBG-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.35
Rot. Bonds3

About 2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N'-hydroxypropanimidamide

2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N'-hydroxypropanimidamide (PubChem CID 77012254) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N'-hydroxypropanimidamide
PubChem CID77012254
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N'-hydroxypropanimidamide
SMILESCc1cc(N2CCN(C(C)C(N)=NO)CC2)nc(C)n1
InChIInChI=1S/C13H22N6O/c1-9-8-12(16-11(3)15-9)19-6-4-18(5-7-19)10(2)13(14)17-20/h8,10,20H,4-7H2,1-3H3,(H2,14,17)
InChIKeyRRFJLXWTRDYPBG-UHFFFAOYSA-N
XLogP0.35
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.35
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-Dimethyl-6-(piperazin-1-yl)pyrimidine
CID 4778269
4-Methyl-2,6-di(piperidin-1-yl)pyrimidine
CID 893737
4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 3228743
4-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994945
1-(4,6-Dimethyl-2-pyrimidyl)piperazine
CID 2758651
2-N-cyclohexyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 46225981
2-N-heptyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 46225986
4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 46226008
4-(fluoromethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 118720435
4-(3-Aminoazetidin-1-yl)-6-methylpyrimidin-2-amine
CID 155533291
4-Methyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine;dihydrochloride
CID 155533425
4-[3-(Ethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine
CID 155533940

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N'-hydroxypropanimidamide (CID 77012254) is 2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N'-hydroxypropanimidamide is Cc1cc(N2CCN(C(C)C(N)=NO)CC2)nc(C)n1.
What is the InChIKey of 2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The InChIKey is RRFJLXWTRDYPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-9-8-12(16-11(3)15-9)19-6-4-18(5-7-19)10(2)13(14)17-20/h8,10,20H,4-7H2,1-3H3,(H2,14,17).
What are the key properties of 2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N'-hydroxypropanimidamide?
2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N'-hydroxypropanimidamide has a molecular weight of 278.36 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77012254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).