N-methyl-1-[4-methyl-2-(oxolan-3-yloxy)pyrimidin-5-yl]methanamine

C11H17N3O2 — CID 83188779

IUPACN-methyl-1-[4-methyl-2-(oxolan-3-yloxy)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(OC2CCOC2)nc1C
InChIInChI=1S/C11H17N3O2/c1-8-9(5-12-2)6-13-11(14-8)16-10-3-4-15-7-10/h6,10,12H,3-5,7H2,1-2H3
InChIKeyJLPRHRIANHFESH-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.67
Rot. Bonds4

About N-methyl-1-[4-methyl-2-(oxolan-3-yloxy)pyrimidin-5-yl]methanamine

N-methyl-1-[4-methyl-2-(oxolan-3-yloxy)pyrimidin-5-yl]methanamine (PubChem CID 83188779) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(oxolan-3-yloxy)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(oxolan-3-yloxy)pyrimidin-5-yl]methanamine
PubChem CID83188779
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-methyl-1-[4-methyl-2-(oxolan-3-yloxy)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(OC2CCOC2)nc1C
InChIInChI=1S/C11H17N3O2/c1-8-9(5-12-2)6-13-11(14-8)16-10-3-4-15-7-10/h6,10,12H,3-5,7H2,1-2H3
InChIKeyJLPRHRIANHFESH-UHFFFAOYSA-N
XLogP0.67
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(oxolan-3-yloxy)pyrimidin-5-yl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(oxolan-3-yloxy)pyrimidin-5-yl]methanamine (CID 83188779) is N-methyl-1-[4-methyl-2-(oxolan-3-yloxy)pyrimidin-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(oxolan-3-yloxy)pyrimidin-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(oxolan-3-yloxy)pyrimidin-5-yl]methanamine is CNCc1cnc(OC2CCOC2)nc1C.
What is the InChIKey of N-methyl-1-[4-methyl-2-(oxolan-3-yloxy)pyrimidin-5-yl]methanamine?
The InChIKey is JLPRHRIANHFESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-9(5-12-2)6-13-11(14-8)16-10-3-4-15-7-10/h6,10,12H,3-5,7H2,1-2H3.
What are the key properties of N-methyl-1-[4-methyl-2-(oxolan-3-yloxy)pyrimidin-5-yl]methanamine?
N-methyl-1-[4-methyl-2-(oxolan-3-yloxy)pyrimidin-5-yl]methanamine has a molecular weight of 223.28 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(oxolan-3-yloxy)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 83188779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).