3'-fluoro-2,2-dimethyl-5-pyrimidin-5-ylspiro[1H-indene-3,5'-pyrrole]-2'-amine

C18H17FN4 — CID 71550203

IUPAC3'-fluoro-2,2-dimethyl-5-pyrimidin-5-ylspiro[1H-indene-3,5'-pyrrole]-2'-amine
SMILESCC1(C)Cc2ccc(-c3cncnc3)cc2C12C=C(F)C(N)=N2
InChIInChI=1S/C18H17FN4/c1-17(2)6-12-4-3-11(13-8-21-10-22-9-13)5-14(12)18(17)7-15(19)16(20)23-18/h3-5,7-10H,6H2,1-2H3,(H2,20,23)
InChIKeyORILNYIQHJPETP-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.15
Rot. Bonds1

About 3'-fluoro-2,2-dimethyl-5-pyrimidin-5-ylspiro[1H-indene-3,5'-pyrrole]-2'-amine

3'-fluoro-2,2-dimethyl-5-pyrimidin-5-ylspiro[1H-indene-3,5'-pyrrole]-2'-amine (PubChem CID 71550203) has the molecular formula C18H17FN4 and a molecular weight of 308.36 g/mol. Its IUPAC name is 3'-fluoro-2,2-dimethyl-5-pyrimidin-5-ylspiro[1H-indene-3,5'-pyrrole]-2'-amine.

Molecular Properties

Compound Name3'-fluoro-2,2-dimethyl-5-pyrimidin-5-ylspiro[1H-indene-3,5'-pyrrole]-2'-amine
PubChem CID71550203
Molecular FormulaC18H17FN4
Molecular Weight308.36 g/mol
Exact Mass308.14
IUPAC Name3'-fluoro-2,2-dimethyl-5-pyrimidin-5-ylspiro[1H-indene-3,5'-pyrrole]-2'-amine
SMILESCC1(C)Cc2ccc(-c3cncnc3)cc2C12C=C(F)C(N)=N2
InChIInChI=1S/C18H17FN4/c1-17(2)6-12-4-3-11(13-8-21-10-22-9-13)5-14(12)18(17)7-15(19)16(20)23-18/h3-5,7-10H,6H2,1-2H3,(H2,20,23)
InChIKeyORILNYIQHJPETP-UHFFFAOYSA-N
XLogP3.15
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3'-fluoro-2,2-dimethyl-5-pyrimidin-5-ylspiro[1H-indene-3,5'-pyrrole]-2'-amine?
The IUPAC name of 3'-fluoro-2,2-dimethyl-5-pyrimidin-5-ylspiro[1H-indene-3,5'-pyrrole]-2'-amine (CID 71550203) is 3'-fluoro-2,2-dimethyl-5-pyrimidin-5-ylspiro[1H-indene-3,5'-pyrrole]-2'-amine.
What is the SMILES notation for 3'-fluoro-2,2-dimethyl-5-pyrimidin-5-ylspiro[1H-indene-3,5'-pyrrole]-2'-amine?
The canonical SMILES for 3'-fluoro-2,2-dimethyl-5-pyrimidin-5-ylspiro[1H-indene-3,5'-pyrrole]-2'-amine is CC1(C)Cc2ccc(-c3cncnc3)cc2C12C=C(F)C(N)=N2.
What is the InChIKey of 3'-fluoro-2,2-dimethyl-5-pyrimidin-5-ylspiro[1H-indene-3,5'-pyrrole]-2'-amine?
The InChIKey is ORILNYIQHJPETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4/c1-17(2)6-12-4-3-11(13-8-21-10-22-9-13)5-14(12)18(17)7-15(19)16(20)23-18/h3-5,7-10H,6H2,1-2H3,(H2,20,23).
What are the key properties of 3'-fluoro-2,2-dimethyl-5-pyrimidin-5-ylspiro[1H-indene-3,5'-pyrrole]-2'-amine?
3'-fluoro-2,2-dimethyl-5-pyrimidin-5-ylspiro[1H-indene-3,5'-pyrrole]-2'-amine has a molecular weight of 308.36 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-fluoro-2,2-dimethyl-5-pyrimidin-5-ylspiro[1H-indene-3,5'-pyrrole]-2'-amine is sourced from PubChem (CID 71550203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).