N,4-dimethyl-5-(methylaminomethyl)-N-(oxan-4-yl)pyrimidin-2-amine

C13H22N4O — CID 83185622

IUPACN,4-dimethyl-5-(methylaminomethyl)-N-(oxan-4-yl)pyrimidin-2-amine
SMILESCNCc1cnc(N(C)C2CCOCC2)nc1C
InChIInChI=1S/C13H22N4O/c1-10-11(8-14-2)9-15-13(16-10)17(3)12-4-6-18-7-5-12/h9,12,14H,4-8H2,1-3H3
InChIKeyBZPFOJYIFJURTE-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.12
Rot. Bonds4

About N,4-dimethyl-5-(methylaminomethyl)-N-(oxan-4-yl)pyrimidin-2-amine

N,4-dimethyl-5-(methylaminomethyl)-N-(oxan-4-yl)pyrimidin-2-amine (PubChem CID 83185622) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N,4-dimethyl-5-(methylaminomethyl)-N-(oxan-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-(methylaminomethyl)-N-(oxan-4-yl)pyrimidin-2-amine
PubChem CID83185622
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN,4-dimethyl-5-(methylaminomethyl)-N-(oxan-4-yl)pyrimidin-2-amine
SMILESCNCc1cnc(N(C)C2CCOCC2)nc1C
InChIInChI=1S/C13H22N4O/c1-10-11(8-14-2)9-15-13(16-10)17(3)12-4-6-18-7-5-12/h9,12,14H,4-8H2,1-3H3
InChIKeyBZPFOJYIFJURTE-UHFFFAOYSA-N
XLogP1.12
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-N-(oxan-4-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
CID 83185887
[4-methyl-2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]methanol
CID 83184886
N,4-dimethyl-N-(oxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
CID 83189633
N,4-dimethyl-N-(oxolan-3-yl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 83189478
5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethylpyrimidin-2-amine
CID 83185162
5-(chloromethyl)-N,4-dimethyl-N-(oxolan-3-yl)pyrimidin-2-amine
CID 83183810
N-(cyclohexylmethyl)-N,4-dimethyl-5-(methylaminomethyl)pyrimidin-2-amine
CID 83186072
N-methyl-6-(methylaminomethyl)-N-(oxan-4-yl)pyrazin-2-amine
CID 66457022
N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)pyrimidin-4-amine
CID 114216480
5-(chloromethyl)-N-cycloheptyl-N,4-dimethylpyrimidin-2-amine
CID 83184574
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)pyrimidin-2-amine
CID 83186208
N,N-dimethyl-1-[4-methyl-5-(methylaminomethyl)pyrimidin-2-yl]piperidin-4-amine
CID 83185173

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-(methylaminomethyl)-N-(oxan-4-yl)pyrimidin-2-amine?
The IUPAC name of N,4-dimethyl-5-(methylaminomethyl)-N-(oxan-4-yl)pyrimidin-2-amine (CID 83185622) is N,4-dimethyl-5-(methylaminomethyl)-N-(oxan-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N,4-dimethyl-5-(methylaminomethyl)-N-(oxan-4-yl)pyrimidin-2-amine?
The canonical SMILES for N,4-dimethyl-5-(methylaminomethyl)-N-(oxan-4-yl)pyrimidin-2-amine is CNCc1cnc(N(C)C2CCOCC2)nc1C.
What is the InChIKey of N,4-dimethyl-5-(methylaminomethyl)-N-(oxan-4-yl)pyrimidin-2-amine?
The InChIKey is BZPFOJYIFJURTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-11(8-14-2)9-15-13(16-10)17(3)12-4-6-18-7-5-12/h9,12,14H,4-8H2,1-3H3.
What are the key properties of N,4-dimethyl-5-(methylaminomethyl)-N-(oxan-4-yl)pyrimidin-2-amine?
N,4-dimethyl-5-(methylaminomethyl)-N-(oxan-4-yl)pyrimidin-2-amine has a molecular weight of 250.35 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-(methylaminomethyl)-N-(oxan-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 83185622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).