1-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine

C12H20N4O — CID 112638856

IUPAC1-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine
SMILESCCOc1ccnc(N2CCCC2CNC)n1
InChIInChI=1S/C12H20N4O/c1-3-17-11-6-7-14-12(15-11)16-8-4-5-10(16)9-13-2/h6-7,10,13H,3-5,8-9H2,1-2H3
InChIKeyNWXAZJCVZAZXDL-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.06
Rot. Bonds5

About 1-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine

1-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine (PubChem CID 112638856) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine
PubChem CID112638856
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine
SMILESCCOc1ccnc(N2CCCC2CNC)n1
InChIInChI=1S/C12H20N4O/c1-3-17-11-6-7-14-12(15-11)16-8-4-5-10(16)9-13-2/h6-7,10,13H,3-5,8-9H2,1-2H3
InChIKeyNWXAZJCVZAZXDL-UHFFFAOYSA-N
XLogP1.06
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine (CID 112638856) is 1-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine is CCOc1ccnc(N2CCCC2CNC)n1.
What is the InChIKey of 1-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine?
The InChIKey is NWXAZJCVZAZXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-17-11-6-7-14-12(15-11)16-8-4-5-10(16)9-13-2/h6-7,10,13H,3-5,8-9H2,1-2H3.
What are the key properties of 1-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine?
1-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine has a molecular weight of 236.32 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 112638856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).