1-[1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine

C13H22N4O — CID 106321931

IUPAC1-[1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1(C)CCN(c2cc(OC)nc(C)n2)C1
InChIInChI=1S/C13H22N4O/c1-10-15-11(7-12(16-10)18-4)17-6-5-13(2,9-17)8-14-3/h7,14H,5-6,8-9H2,1-4H3
InChIKeyYCVXOMZVYMWRNU-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.23
Rot. Bonds4

About 1-[1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine

1-[1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 106321931) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
PubChem CID106321931
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1(C)CCN(c2cc(OC)nc(C)n2)C1
InChIInChI=1S/C13H22N4O/c1-10-15-11(7-12(16-10)18-4)17-6-5-13(2,9-17)8-14-3/h7,14H,5-6,8-9H2,1-4H3
InChIKeyYCVXOMZVYMWRNU-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine (CID 106321931) is 1-[1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine is CNCC1(C)CCN(c2cc(OC)nc(C)n2)C1.
What is the InChIKey of 1-[1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is YCVXOMZVYMWRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-15-11(7-12(16-10)18-4)17-6-5-13(2,9-17)8-14-3/h7,14H,5-6,8-9H2,1-4H3.
What are the key properties of 1-[1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
1-[1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 250.35 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 106321931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).