6-(3-methoxypyrrolidin-1-yl)-2,5-dimethylpyrimidin-4-amine

C11H18N4O — CID 103541817

IUPAC6-(3-methoxypyrrolidin-1-yl)-2,5-dimethylpyrimidin-4-amine
SMILESCOC1CCN(c2nc(C)nc(N)c2C)C1
InChIInChI=1S/C11H18N4O/c1-7-10(12)13-8(2)14-11(7)15-5-4-9(6-15)16-3/h9H,4-6H2,1-3H3,(H2,12,13,14)
InChIKeyACFRXXCKSXUFBX-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.90
Rot. Bonds2

About 6-(3-methoxypyrrolidin-1-yl)-2,5-dimethylpyrimidin-4-amine

6-(3-methoxypyrrolidin-1-yl)-2,5-dimethylpyrimidin-4-amine (PubChem CID 103541817) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-(3-methoxypyrrolidin-1-yl)-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methoxypyrrolidin-1-yl)-2,5-dimethylpyrimidin-4-amine
PubChem CID103541817
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name6-(3-methoxypyrrolidin-1-yl)-2,5-dimethylpyrimidin-4-amine
SMILESCOC1CCN(c2nc(C)nc(N)c2C)C1
InChIInChI=1S/C11H18N4O/c1-7-10(12)13-8(2)14-11(7)15-5-4-9(6-15)16-3/h9H,4-6H2,1-3H3,(H2,12,13,14)
InChIKeyACFRXXCKSXUFBX-UHFFFAOYSA-N
XLogP0.90
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-methoxy-4-methylpiperidin-1-yl)-2,5-dimethylpyrimidin-4-amine
CID 102971402
1-(6-amino-2,5-dimethylpyrimidin-4-yl)pyrrolidin-3-ol
CID 80823336
2-cyclopropyl-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidin-4-amine
CID 102971605
3-(3-methoxypyrrolidin-1-yl)pyrazin-2-amine
CID 103541701
4-chloro-6-(3-methoxyazetidin-1-yl)-2,5-dimethylpyrimidine
CID 130548007
7-bromo-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methylquinazoline
CID 69460039
6-(3-ethyl-4-methylpiperazin-1-yl)-2,5-dimethylpyrimidin-4-amine
CID 80834206
4-chloro-6-(3-methoxypyrrolidin-1-yl)-2-methylpyrimidine
CID 108773094
5-bromo-4-(4-methoxypiperidin-1-yl)-2,6-dimethylpyrimidine
CID 122151345
4-methoxy-6-(3-methoxypyrrolidin-1-yl)pyrimidin-5-amine
CID 103530461
6-(3-methoxypyrrolidin-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 103541803
6-(4-ethoxypiperidin-1-yl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80987233

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypyrrolidin-1-yl)-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(3-methoxypyrrolidin-1-yl)-2,5-dimethylpyrimidin-4-amine (CID 103541817) is 6-(3-methoxypyrrolidin-1-yl)-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-methoxypyrrolidin-1-yl)-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(3-methoxypyrrolidin-1-yl)-2,5-dimethylpyrimidin-4-amine is COC1CCN(c2nc(C)nc(N)c2C)C1.
What is the InChIKey of 6-(3-methoxypyrrolidin-1-yl)-2,5-dimethylpyrimidin-4-amine?
The InChIKey is ACFRXXCKSXUFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-10(12)13-8(2)14-11(7)15-5-4-9(6-15)16-3/h9H,4-6H2,1-3H3,(H2,12,13,14).
What are the key properties of 6-(3-methoxypyrrolidin-1-yl)-2,5-dimethylpyrimidin-4-amine?
6-(3-methoxypyrrolidin-1-yl)-2,5-dimethylpyrimidin-4-amine has a molecular weight of 222.29 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypyrrolidin-1-yl)-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 103541817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).