2-(4-pyrrolidin-3-ylpyrimidin-2-yl)ethanamine;hydrochloride

C10H17ClN4 — CID 105486108

IUPAC2-(4-pyrrolidin-3-ylpyrimidin-2-yl)ethanamine;hydrochloride
SMILESCl.NCCc1nccc(C2CCNC2)n1
InChIInChI=1S/C10H16N4.ClH/c11-4-1-10-13-6-3-9(14-10)8-2-5-12-7-8;/h3,6,8,12H,1-2,4-5,7,11H2;1H
InChIKeySSIQDMQLHQJMJR-UHFFFAOYSA-N
MW228.73 g/mol
LogP0.48
Rot. Bonds3

About 2-(4-pyrrolidin-3-ylpyrimidin-2-yl)ethanamine;hydrochloride

2-(4-pyrrolidin-3-ylpyrimidin-2-yl)ethanamine;hydrochloride (PubChem CID 105486108) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is 2-(4-pyrrolidin-3-ylpyrimidin-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-pyrrolidin-3-ylpyrimidin-2-yl)ethanamine;hydrochloride
PubChem CID105486108
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC Name2-(4-pyrrolidin-3-ylpyrimidin-2-yl)ethanamine;hydrochloride
SMILESCl.NCCc1nccc(C2CCNC2)n1
InChIInChI=1S/C10H16N4.ClH/c11-4-1-10-13-6-3-9(14-10)8-2-5-12-7-8;/h3,6,8,12H,1-2,4-5,7,11H2;1H
InChIKeySSIQDMQLHQJMJR-UHFFFAOYSA-N
XLogP0.48
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 92615182
N-pyrimidin-2-yl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 95814825
4-[(3R)-pyrrolidin-3-yl]pyrimidine
CID 129369776
2-(4-cyclohexylpyrimidin-2-yl)ethanol
CID 116899631
2-(2-pyrrolidin-3-yl-1,3-oxazol-4-yl)ethanamine
CID 115082091
2-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)ethanamine
CID 115087742
[4-(oxolan-3-yl)pyrimidin-2-yl]methanamine;hydrochloride
CID 105469285
2-[(3S)-pyrrolidin-3-yl]-1,8-naphthyridine
CID 124702274
2-pyrrolidin-3-ylpyrazine;hydrochloride
CID 71744154
N,N-dimethyl-4-piperidin-3-ylpyrimidin-2-amine
CID 66509672
ethane;4-methyl-2-pyrrolidin-3-ylpyridine
CID 143900241
[4-(oxolan-3-yl)pyrimidin-2-yl]methanamine
CID 105469286

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrolidin-3-ylpyrimidin-2-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(4-pyrrolidin-3-ylpyrimidin-2-yl)ethanamine;hydrochloride (CID 105486108) is 2-(4-pyrrolidin-3-ylpyrimidin-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(4-pyrrolidin-3-ylpyrimidin-2-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(4-pyrrolidin-3-ylpyrimidin-2-yl)ethanamine;hydrochloride is Cl.NCCc1nccc(C2CCNC2)n1.
What is the InChIKey of 2-(4-pyrrolidin-3-ylpyrimidin-2-yl)ethanamine;hydrochloride?
The InChIKey is SSIQDMQLHQJMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4.ClH/c11-4-1-10-13-6-3-9(14-10)8-2-5-12-7-8;/h3,6,8,12H,1-2,4-5,7,11H2;1H.
What are the key properties of 2-(4-pyrrolidin-3-ylpyrimidin-2-yl)ethanamine;hydrochloride?
2-(4-pyrrolidin-3-ylpyrimidin-2-yl)ethanamine;hydrochloride has a molecular weight of 228.73 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolidin-3-ylpyrimidin-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 105486108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).