[1-(2-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanamine;hydrochloride

C9H14Cl2N4 — CID 71644669

IUPAC[1-(2-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN1c1ccnc(Cl)n1
InChIInChI=1S/C9H13ClN4.ClH/c10-9-12-4-3-8(13-9)14-5-1-2-7(14)6-11;/h3-4,7H,1-2,5-6,11H2;1H
InChIKeyZROLJRPVJJYHNR-UHFFFAOYSA-N
MW249.14 g/mol
LogP1.48
Rot. Bonds2

About [1-(2-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanamine;hydrochloride

[1-(2-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 71644669) has the molecular formula C9H14Cl2N4 and a molecular weight of 249.14 g/mol. Its IUPAC name is [1-(2-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(2-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID71644669
Molecular FormulaC9H14Cl2N4
Molecular Weight249.14 g/mol
Exact Mass248.06
IUPAC Name[1-(2-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN1c1ccnc(Cl)n1
InChIInChI=1S/C9H13ClN4.ClH/c10-9-12-4-3-8(13-9)14-5-1-2-7(14)6-11;/h3-4,7H,1-2,5-6,11H2;1H
InChIKeyZROLJRPVJJYHNR-UHFFFAOYSA-N
XLogP1.48
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine
CID 141444822
[(2S)-1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methanol
CID 94405708
[1-(6-chloro-2-pyridinyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 23369489
4-[2-(aminomethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 64830681
2-chloro-4-(2-methylpyrrolidin-1-yl)pyrimidine
CID 62342852
[(2R)-1-(4-chloropyrimidin-2-yl)piperidin-2-yl]methanamine
CID 97165385
2-[2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile;hydrochloride
CID 71644679
2-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
CID 96683436
[1-[4-(4-chlorophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine
CID 103279291
[1-(6-bromo-2-pyridinyl)pyrrolidin-2-yl]methanamine
CID 71644668
4-[2-(chloromethyl)pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 64831296
2-[2-(aminomethyl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile
CID 107061376

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-(2-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanamine;hydrochloride (CID 71644669) is [1-(2-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(2-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(2-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanamine;hydrochloride is Cl.NCC1CCCN1c1ccnc(Cl)n1.
What is the InChIKey of [1-(2-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is ZROLJRPVJJYHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4.ClH/c10-9-12-4-3-8(13-9)14-5-1-2-7(14)6-11;/h3-4,7H,1-2,5-6,11H2;1H.
What are the key properties of [1-(2-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanamine;hydrochloride?
[1-(2-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 249.14 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 71644669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).