N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyloxan-4-amine

C12H21N5O — CID 80655656

IUPACN-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyloxan-4-amine
SMILESCc1cc(NN)nc(CN(C)C2CCOCC2)n1
InChIInChI=1S/C12H21N5O/c1-9-7-11(16-13)15-12(14-9)8-17(2)10-3-5-18-6-4-10/h7,10H,3-6,8,13H2,1-2H3,(H,14,15,16)
InChIKeyOINIBGTYIOMOTD-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.68
Rot. Bonds4

About N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyloxan-4-amine

N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyloxan-4-amine (PubChem CID 80655656) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyloxan-4-amine
PubChem CID80655656
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyloxan-4-amine
SMILESCc1cc(NN)nc(CN(C)C2CCOCC2)n1
InChIInChI=1S/C12H21N5O/c1-9-7-11(16-13)15-12(14-9)8-17(2)10-3-5-18-6-4-10/h7,10H,3-6,8,13H2,1-2H3,(H,14,15,16)
InChIKeyOINIBGTYIOMOTD-UHFFFAOYSA-N
XLogP0.68
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methylcyclohexanamine
CID 80655142
N,6-dimethyl-2-[[methyl(oxolan-3-yl)amino]methyl]pyrimidin-4-amine
CID 82743511
N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 80656296
2-[[cyclopentyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80658200
[6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-yl]hydrazine
CID 103987906
2-[cyclobutyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]ethanol
CID 102870654
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methyloxan-4-amine
CID 63887848
N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 80656005
4-N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 80657500
1-[[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105417038
N-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methyloxolan-3-amine
CID 82743836
[6-methyl-2-(1,4-oxazepan-4-ylmethyl)pyrimidin-4-yl]hydrazine
CID 80655372

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyloxan-4-amine?
The IUPAC name of N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyloxan-4-amine (CID 80655656) is N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyloxan-4-amine.
What is the SMILES notation for N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyloxan-4-amine?
The canonical SMILES for N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyloxan-4-amine is Cc1cc(NN)nc(CN(C)C2CCOCC2)n1.
What is the InChIKey of N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyloxan-4-amine?
The InChIKey is OINIBGTYIOMOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-9-7-11(16-13)15-12(14-9)8-17(2)10-3-5-18-6-4-10/h7,10H,3-6,8,13H2,1-2H3,(H,14,15,16).
What are the key properties of N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyloxan-4-amine?
N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyloxan-4-amine has a molecular weight of 251.33 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyloxan-4-amine is sourced from PubChem (CID 80655656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).