N-methyl-1-[5-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]methanamine

C13H21N3O — CID 114245206

IUPACN-methyl-1-[5-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]methanamine
SMILESCNCc1nc(C2(C)CCCCO2)ncc1C
InChIInChI=1S/C13H21N3O/c1-10-8-15-12(16-11(10)9-14-3)13(2)6-4-5-7-17-13/h8,14H,4-7,9H2,1-3H3
InChIKeyOOJWDBKZDQGEOI-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.92
Rot. Bonds3

About N-methyl-1-[5-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]methanamine

N-methyl-1-[5-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]methanamine (PubChem CID 114245206) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]methanamine
PubChem CID114245206
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-methyl-1-[5-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]methanamine
SMILESCNCc1nc(C2(C)CCCCO2)ncc1C
InChIInChI=1S/C13H21N3O/c1-10-8-15-12(16-11(10)9-14-3)13(2)6-4-5-7-17-13/h8,14H,4-7,9H2,1-3H3
InChIKeyOOJWDBKZDQGEOI-UHFFFAOYSA-N
XLogP1.92
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]methanamine (CID 114245206) is N-methyl-1-[5-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]methanamine is CNCc1nc(C2(C)CCCCO2)ncc1C.
What is the InChIKey of N-methyl-1-[5-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]methanamine?
The InChIKey is OOJWDBKZDQGEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-8-15-12(16-11(10)9-14-3)13(2)6-4-5-7-17-13/h8,14H,4-7,9H2,1-3H3.
What are the key properties of N-methyl-1-[5-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]methanamine?
N-methyl-1-[5-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 114245206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).