2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-[2-(methylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride

C14H16Cl2FN5O — CID 164865792

IUPAC2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-[2-(methylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCNCCc1[nH]c2nc(Cl)nc(NCc3ccco3)c2c1F.Cl
InChIInChI=1S/C14H15ClFN5O.ClH/c1-17-5-4-9-11(16)10-12(18-7-8-3-2-6-22-8)20-14(15)21-13(10)19-9;/h2-3,6,17H,4-5,7H2,1H3,(H2,18,19,20,21);1H
InChIKeySYAFEIBGUIJNQF-UHFFFAOYSA-N
MW360.22 g/mol
LogP3.14
Rot. Bonds6

About 2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-[2-(methylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride

2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-[2-(methylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride (PubChem CID 164865792) has the molecular formula C14H16Cl2FN5O and a molecular weight of 360.22 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-[2-(methylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-[2-(methylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
PubChem CID164865792
Molecular FormulaC14H16Cl2FN5O
Molecular Weight360.22 g/mol
Exact Mass359.07
IUPAC Name2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-[2-(methylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCNCCc1[nH]c2nc(Cl)nc(NCc3ccco3)c2c1F.Cl
InChIInChI=1S/C14H15ClFN5O.ClH/c1-17-5-4-9-11(16)10-12(18-7-8-3-2-6-22-8)20-14(15)21-13(10)19-9;/h2-3,6,17H,4-5,7H2,1H3,(H2,18,19,20,21);1H
InChIKeySYAFEIBGUIJNQF-UHFFFAOYSA-N
XLogP3.14
TPSA78.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-aminobutyl)-2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175574693
acetylene;6-ethyl-5-fluoro-N-(furan-2-ylmethyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 164865767
2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine
CID 134481083
8-(2-aminoethyl)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine
CID 140866792
2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine
CID 7147199
6-[(2S)-2-aminopropyl]-2-chloro-7-ethyl-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 164865775
6-(2-aminopropyl)-2-chloro-7-ethyl-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175574671
6-[(2R,3S)-2-amino-3-methylpentyl]-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 164865754
6-(2-amino-3-methylbutyl)-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 175574716
6-(2-amino-3,3-dimethylbutyl)-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175574698
2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 134480566
2-chloro-N-(furan-2-ylmethyl)-6-methoxyquinazolin-4-amine
CID 171562066

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-[2-(methylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-[2-(methylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride (CID 164865792) is 2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-[2-(methylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-[2-(methylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-[2-(methylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride is CNCCc1[nH]c2nc(Cl)nc(NCc3ccco3)c2c1F.Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-[2-(methylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is SYAFEIBGUIJNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN5O.ClH/c1-17-5-4-9-11(16)10-12(18-7-8-3-2-6-22-8)20-14(15)21-13(10)19-9;/h2-3,6,17H,4-5,7H2,1H3,(H2,18,19,20,21);1H.
What are the key properties of 2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-[2-(methylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?
2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-[2-(methylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 360.22 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-[2-(methylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 164865792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).