2-pyrimidin-4-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine

C14H23N5 — CID 63987004

IUPAC2-pyrimidin-4-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
SMILESNCC(c1ccncn1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C14H23N5/c15-9-14(13-3-5-16-11-17-13)19-8-4-12(10-19)18-6-1-2-7-18/h3,5,11-12,14H,1-2,4,6-10,15H2
InChIKeyLKLUDPIXSJKFRU-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.65
Rot. Bonds4

About 2-pyrimidin-4-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine

2-pyrimidin-4-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine (PubChem CID 63987004) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-pyrimidin-4-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-pyrimidin-4-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
PubChem CID63987004
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name2-pyrimidin-4-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
SMILESNCC(c1ccncn1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C14H23N5/c15-9-14(13-3-5-16-11-17-13)19-8-4-12(10-19)18-6-1-2-7-18/h3,5,11-12,14H,1-2,4,6-10,15H2
InChIKeyLKLUDPIXSJKFRU-UHFFFAOYSA-N
XLogP0.65
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-phenylpyrrolidin-1-yl)-2-pyrimidin-4-ylethanamine
CID 63984471
2-(2-methylmorpholin-4-yl)-2-pyrimidin-4-ylethanamine
CID 63986015
2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine
CID 63986417
2-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63171544
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyrimidin-4-ylethanamine
CID 65319031
2-(5-methylfuran-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 55160318
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyrimidin-4-ylethanamine
CID 82747855
2-(3-methylthiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63171808
2-(3-chloro-2-fluorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 114487914
1-pyridin-4-yl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 63171978
2-(4-bromo-3-methylphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 66472651
2-(2-bromo-5-chlorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 66155655

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-4-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-pyrimidin-4-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine (CID 63987004) is 2-pyrimidin-4-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-pyrimidin-4-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-pyrimidin-4-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine is NCC(c1ccncn1)N1CCC(N2CCCC2)C1.
What is the InChIKey of 2-pyrimidin-4-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine?
The InChIKey is LKLUDPIXSJKFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c15-9-14(13-3-5-16-11-17-13)19-8-4-12(10-19)18-6-1-2-7-18/h3,5,11-12,14H,1-2,4,6-10,15H2.
What are the key properties of 2-pyrimidin-4-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine?
2-pyrimidin-4-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine has a molecular weight of 261.37 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-4-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 63987004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).