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

C16H17FN4O — CID 164865767

IUPACacetylene;6-ethyl-5-fluoro-N-(furan-2-ylmethyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC#C.CCc1[nH]c2nc(C)nc(NCc3ccco3)c2c1F
InChIInChI=1S/C14H15FN4O.C2H2/c1-3-10-12(15)11-13(16-7-9-5-4-6-20-9)17-8(2)18-14(11)19-10;1-2/h4-6H,3,7H2,1-2H3,(H2,16,17,18,19);1-2H
InChIKeyMFDHMQCPWJMIEW-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.42
Rot. Bonds4

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

acetylene;6-ethyl-5-fluoro-N-(furan-2-ylmethyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 164865767) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is acetylene;6-ethyl-5-fluoro-N-(furan-2-ylmethyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Nameacetylene;6-ethyl-5-fluoro-N-(furan-2-ylmethyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID164865767
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Nameacetylene;6-ethyl-5-fluoro-N-(furan-2-ylmethyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC#C.CCc1[nH]c2nc(C)nc(NCc3ccco3)c2c1F
InChIInChI=1S/C14H15FN4O.C2H2/c1-3-10-12(15)11-13(16-7-9-5-4-6-20-9)17-8(2)18-14(11)19-10;1-2/h4-6H,3,7H2,1-2H3,(H2,16,17,18,19);1-2H
InChIKeyMFDHMQCPWJMIEW-UHFFFAOYSA-N
XLogP3.42
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-aminobutyl)-2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175574693
N-(furan-2-ylmethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430211
N-(furan-2-ylmethyl)-8-methoxy-2-methylpyrido[3,2-d]pyrimidin-4-amine
CID 174269563
2-fluoro-N-(furan-2-ylmethyl)-3-methylaniline
CID 115904329
4-ethoxy-N-(furan-2-ylmethyl)-6-methyl-1,3,5-triazin-2-amine
CID 143835245
3-fluoro-N-(furan-2-ylmethyl)pyridin-2-amine
CID 62733784
2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine
CID 134481083
N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 9167847
2-tert-butyl-4-N-(furan-2-ylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80980628
2-ethyl-N-(furan-2-ylmethyl)-6-hydrazinylpyrimidin-4-amine
CID 80937643
6-(2-aminopropyl)-2-chloro-7-ethyl-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175574671

Frequently Asked Questions

What is the IUPAC name of acetylene;6-ethyl-5-fluoro-N-(furan-2-ylmethyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of acetylene;6-ethyl-5-fluoro-N-(furan-2-ylmethyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 164865767) is acetylene;6-ethyl-5-fluoro-N-(furan-2-ylmethyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for acetylene;6-ethyl-5-fluoro-N-(furan-2-ylmethyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for acetylene;6-ethyl-5-fluoro-N-(furan-2-ylmethyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is C#C.CCc1[nH]c2nc(C)nc(NCc3ccco3)c2c1F.
What is the InChIKey of acetylene;6-ethyl-5-fluoro-N-(furan-2-ylmethyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is MFDHMQCPWJMIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O.C2H2/c1-3-10-12(15)11-13(16-7-9-5-4-6-20-9)17-8(2)18-14(11)19-10;1-2/h4-6H,3,7H2,1-2H3,(H2,16,17,18,19);1-2H.
What are the key properties of acetylene;6-ethyl-5-fluoro-N-(furan-2-ylmethyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
acetylene;6-ethyl-5-fluoro-N-(furan-2-ylmethyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 300.34 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;6-ethyl-5-fluoro-N-(furan-2-ylmethyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 164865767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).