[2-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methanamine

C11H18N4O — CID 107542637

IUPAC[2-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methanamine
SMILESNCc1ccnc(OCCN2CCCC2)n1
InChIInChI=1S/C11H18N4O/c12-9-10-3-4-13-11(14-10)16-8-7-15-5-1-2-6-15/h3-4H,1-2,5-9,12H2
InChIKeyJYWHJDVACOZBDG-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.41
Rot. Bonds5

About [2-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methanamine

[2-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methanamine (PubChem CID 107542637) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is [2-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methanamine
PubChem CID107542637
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name[2-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methanamine
SMILESNCc1ccnc(OCCN2CCCC2)n1
InChIInChI=1S/C11H18N4O/c12-9-10-3-4-13-11(14-10)16-8-7-15-5-1-2-6-15/h3-4H,1-2,5-9,12H2
InChIKeyJYWHJDVACOZBDG-UHFFFAOYSA-N
XLogP0.41
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-pyrrolidin-1-ylethoxy)pyrimidine-4-carboxylic acid
CID 107554889
[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methanamine
CID 58531807
[2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]methanamine
CID 105478159
2-chloro-4-(2-pyrrolidin-1-ylethoxy)pyridine
CID 63778456
[5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine
CID 60879649
[2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methanamine
CID 81050953
5-(chloromethyl)-4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidine
CID 83184339
[6-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methanol
CID 62239546
4-(2-piperidin-1-ylethoxy)pyridin-3-amine
CID 61102870
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
2-(2-piperidin-1-ylethoxy)quinolin-6-amine
CID 61104220
[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine
CID 60878304

Frequently Asked Questions

What is the IUPAC name of [2-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methanamine?
The IUPAC name of [2-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methanamine (CID 107542637) is [2-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methanamine is NCc1ccnc(OCCN2CCCC2)n1.
What is the InChIKey of [2-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methanamine?
The InChIKey is JYWHJDVACOZBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-9-10-3-4-13-11(14-10)16-8-7-15-5-1-2-6-15/h3-4H,1-2,5-9,12H2.
What are the key properties of [2-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methanamine?
[2-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methanamine has a molecular weight of 222.29 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 107542637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).