2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethylamino]ethanol

C13H23N5O — CID 102536724

IUPAC2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethylamino]ethanol
SMILESOCCNCCNCc1cnc(N2CCCC2)nc1
InChIInChI=1S/C13H23N5O/c19-8-5-14-3-4-15-9-12-10-16-13(17-11-12)18-6-1-2-7-18/h10-11,14-15,19H,1-9H2
InChIKeyUCCWUNWVKDORRD-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.25
Rot. Bonds8

About 2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethylamino]ethanol

2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethylamino]ethanol (PubChem CID 102536724) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethylamino]ethanol
PubChem CID102536724
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethylamino]ethanol
SMILESOCCNCCNCc1cnc(N2CCCC2)nc1
InChIInChI=1S/C13H23N5O/c19-8-5-14-3-4-15-9-12-10-16-13(17-11-12)18-6-1-2-7-18/h10-11,14-15,19H,1-9H2
InChIKeyUCCWUNWVKDORRD-UHFFFAOYSA-N
XLogP-0.25
TPSA73.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethoxy]ethanol
CID 102536476
3-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]butan-1-amine
CID 102536485
N-methyl-1-(2-piperidin-1-ylpyrimidin-5-yl)methanamine
CID 62756397
2-methyl-2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]propan-1-ol
CID 102536454
1-[4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]phenyl]ethanol
CID 47626361
(1S)-1-[4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]phenyl]ethanol
CID 95582612
N-[(2-thiomorpholin-4-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 113388026
2-[4-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-1,4-diazepan-1-yl]ethanol
CID 107223732
N-[[2-(azepan-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 55113924
[2-(azepan-1-yl)pyrimidin-5-yl]methanamine
CID 62757844
[6-methyl-4-[5-(propylaminomethyl)pyrimidin-2-yl]morpholin-2-yl]methanol
CID 102933644
3,3-dimethyl-4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]butan-1-ol
CID 111470717

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethylamino]ethanol?
The IUPAC name of 2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethylamino]ethanol (CID 102536724) is 2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethylamino]ethanol.
What is the SMILES notation for 2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethylamino]ethanol?
The canonical SMILES for 2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethylamino]ethanol is OCCNCCNCc1cnc(N2CCCC2)nc1.
What is the InChIKey of 2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethylamino]ethanol?
The InChIKey is UCCWUNWVKDORRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c19-8-5-14-3-4-15-9-12-10-16-13(17-11-12)18-6-1-2-7-18/h10-11,14-15,19H,1-9H2.
What are the key properties of 2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethylamino]ethanol?
2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethylamino]ethanol has a molecular weight of 265.36 g/mol, XLogP of -0.25, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethylamino]ethanol is sourced from PubChem (CID 102536724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).