7-[4-(dimethylamino)phenyl]-5-[3-(furan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine

C25H21N5O — CID 141306285

IUPAC7-[4-(dimethylamino)phenyl]-5-[3-(furan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine
SMILESCN(C)c1ccc(-c2cc(-c3cccc(-c4ccco4)c3)c3cnc(N)nc3n2)cc1
InChIInChI=1S/C25H21N5O/c1-30(2)19-10-8-16(9-11-19)22-14-20(21-15-27-25(26)29-24(21)28-22)17-5-3-6-18(13-17)23-7-4-12-31-23/h3-15H,1-2H3,(H2,26,27,28,29)
InChIKeyMXDPABMCKPRUFK-UHFFFAOYSA-N
MW407.48 g/mol
LogP5.27
Rot. Bonds4

About 7-[4-(dimethylamino)phenyl]-5-[3-(furan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine

7-[4-(dimethylamino)phenyl]-5-[3-(furan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine (PubChem CID 141306285) has the molecular formula C25H21N5O and a molecular weight of 407.48 g/mol. Its IUPAC name is 7-[4-(dimethylamino)phenyl]-5-[3-(furan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-[4-(dimethylamino)phenyl]-5-[3-(furan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine
PubChem CID141306285
Molecular FormulaC25H21N5O
Molecular Weight407.48 g/mol
Exact Mass407.17
IUPAC Name7-[4-(dimethylamino)phenyl]-5-[3-(furan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine
SMILESCN(C)c1ccc(-c2cc(-c3cccc(-c4ccco4)c3)c3cnc(N)nc3n2)cc1
InChIInChI=1S/C25H21N5O/c1-30(2)19-10-8-16(9-11-19)22-14-20(21-15-27-25(26)29-24(21)28-22)17-5-3-6-18(13-17)23-7-4-12-31-23/h3-15H,1-2H3,(H2,26,27,28,29)
InChIKeyMXDPABMCKPRUFK-UHFFFAOYSA-N
XLogP5.27
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.48
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(dimethylamino)phenyl]-5-[3-(furan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-[4-(dimethylamino)phenyl]-5-[3-(furan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine (CID 141306285) is 7-[4-(dimethylamino)phenyl]-5-[3-(furan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-[4-(dimethylamino)phenyl]-5-[3-(furan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-[4-(dimethylamino)phenyl]-5-[3-(furan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine is CN(C)c1ccc(-c2cc(-c3cccc(-c4ccco4)c3)c3cnc(N)nc3n2)cc1.
What is the InChIKey of 7-[4-(dimethylamino)phenyl]-5-[3-(furan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is MXDPABMCKPRUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O/c1-30(2)19-10-8-16(9-11-19)22-14-20(21-15-27-25(26)29-24(21)28-22)17-5-3-6-18(13-17)23-7-4-12-31-23/h3-15H,1-2H3,(H2,26,27,28,29).
What are the key properties of 7-[4-(dimethylamino)phenyl]-5-[3-(furan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine?
7-[4-(dimethylamino)phenyl]-5-[3-(furan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 407.48 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(dimethylamino)phenyl]-5-[3-(furan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 141306285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).