6-[(2S)-2-aminopropyl]-2-chloro-7-ethyl-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine

C16H19ClFN5O — CID 164865775

IUPAC6-[(2S)-2-aminopropyl]-2-chloro-7-ethyl-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCn1c(C[C@H](C)N)c(F)c2c(NCc3ccco3)nc(Cl)nc21
InChIInChI=1S/C16H19ClFN5O/c1-3-23-11(7-9(2)19)13(18)12-14(21-16(17)22-15(12)23)20-8-10-5-4-6-24-10/h4-6,9H,3,7-8,19H2,1-2H3,(H,20,21,22)/t9-/m0/s1
InChIKeyJSORTGBAPBJEPL-VIFPVBQESA-N
MW351.81 g/mol
LogP3.34
Rot. Bonds6

About 6-[(2S)-2-aminopropyl]-2-chloro-7-ethyl-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine

6-[(2S)-2-aminopropyl]-2-chloro-7-ethyl-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 164865775) has the molecular formula C16H19ClFN5O and a molecular weight of 351.81 g/mol. Its IUPAC name is 6-[(2S)-2-aminopropyl]-2-chloro-7-ethyl-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2S)-2-aminopropyl]-2-chloro-7-ethyl-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID164865775
Molecular FormulaC16H19ClFN5O
Molecular Weight351.81 g/mol
Exact Mass351.13
IUPAC Name6-[(2S)-2-aminopropyl]-2-chloro-7-ethyl-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCn1c(C[C@H](C)N)c(F)c2c(NCc3ccco3)nc(Cl)nc21
InChIInChI=1S/C16H19ClFN5O/c1-3-23-11(7-9(2)19)13(18)12-14(21-16(17)22-15(12)23)20-8-10-5-4-6-24-10/h4-6,9H,3,7-8,19H2,1-2H3,(H,20,21,22)/t9-/m0/s1
InChIKeyJSORTGBAPBJEPL-VIFPVBQESA-N
XLogP3.34
TPSA81.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.81
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-aminopropyl)-2-chloro-7-ethyl-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175574671
6-(2-aminopropyl)-2-chloro-N-(furan-2-ylmethyl)-5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175574719
6-(2-aminobutyl)-2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175574693
6-[(2S)-2-aminopropyl]-2-chloro-N-(furan-2-ylmethyl)-7-methylfuro[3,2-d]pyrimidin-4-amine
CID 177282064
6-[(2R,3S)-2-amino-3-methylpentyl]-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 164865754
2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine
CID 7147199
2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-[2-(methylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 164865792
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
6-chloro-4-N-ethyl-2-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 1146272
6-[(2R)-2-amino-3,3-difluoropropyl]-2,7-dichloro-N-(furan-2-ylmethyl)furo[3,2-d]pyrimidin-4-amine
CID 177282069
8-(2-aminoethyl)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine
CID 140866792

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-aminopropyl]-2-chloro-7-ethyl-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[(2S)-2-aminopropyl]-2-chloro-7-ethyl-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 164865775) is 6-[(2S)-2-aminopropyl]-2-chloro-7-ethyl-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(2S)-2-aminopropyl]-2-chloro-7-ethyl-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(2S)-2-aminopropyl]-2-chloro-7-ethyl-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine is CCn1c(C[C@H](C)N)c(F)c2c(NCc3ccco3)nc(Cl)nc21.
What is the InChIKey of 6-[(2S)-2-aminopropyl]-2-chloro-7-ethyl-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is JSORTGBAPBJEPL-VIFPVBQESA-N. The full InChI is InChI=1S/C16H19ClFN5O/c1-3-23-11(7-9(2)19)13(18)12-14(21-16(17)22-15(12)23)20-8-10-5-4-6-24-10/h4-6,9H,3,7-8,19H2,1-2H3,(H,20,21,22)/t9-/m0/s1.
What are the key properties of 6-[(2S)-2-aminopropyl]-2-chloro-7-ethyl-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
6-[(2S)-2-aminopropyl]-2-chloro-7-ethyl-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 351.81 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-aminopropyl]-2-chloro-7-ethyl-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 164865775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).