6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-2,6-diamine

C30H34F3N9O — CID 141494067

IUPAC6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-2,6-diamine
SMILESCN(C)C1CCN(c2ccc(Nc3cc4c(N5CCOCC5)nc(Nc5cccc(C(F)(F)F)c5)nc4cn3)nc2)CC1
InChIInChI=1S/C30H34F3N9O/c1-40(2)22-8-10-41(11-9-22)23-6-7-26(34-18-23)38-27-17-24-25(19-35-27)37-29(39-28(24)42-12-14-43-15-13-42)36-21-5-3-4-20(16-21)30(31,32)33/h3-7,16-19,22H,8-15H2,1-2H3,(H,34,35,38)(H,36,37,39)
InChIKeyUNYNBUJSCFYJIU-UHFFFAOYSA-N
MW593.66 g/mol
LogP5.29
Rot. Bonds7

About 6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-2,6-diamine

6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-2,6-diamine (PubChem CID 141494067) has the molecular formula C30H34F3N9O and a molecular weight of 593.66 g/mol. Its IUPAC name is 6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-2,6-diamine.

Molecular Properties

Compound Name6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-2,6-diamine
PubChem CID141494067
Molecular FormulaC30H34F3N9O
Molecular Weight593.66 g/mol
Exact Mass593.28
IUPAC Name6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-2,6-diamine
SMILESCN(C)C1CCN(c2ccc(Nc3cc4c(N5CCOCC5)nc(Nc5cccc(C(F)(F)F)c5)nc4cn3)nc2)CC1
InChIInChI=1S/C30H34F3N9O/c1-40(2)22-8-10-41(11-9-22)23-6-7-26(34-18-23)38-27-17-24-25(19-35-27)37-29(39-28(24)42-12-14-43-15-13-42)36-21-5-3-4-20(16-21)30(31,32)33/h3-7,16-19,22H,8-15H2,1-2H3,(H,34,35,38)(H,36,37,39)
InChIKeyUNYNBUJSCFYJIU-UHFFFAOYSA-N
XLogP5.29
TPSA94.57 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.66
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-2,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-2,6-diamine?
The IUPAC name of 6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-2,6-diamine (CID 141494067) is 6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-2,6-diamine.
What is the SMILES notation for 6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-2,6-diamine?
The canonical SMILES for 6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-2,6-diamine is CN(C)C1CCN(c2ccc(Nc3cc4c(N5CCOCC5)nc(Nc5cccc(C(F)(F)F)c5)nc4cn3)nc2)CC1.
What is the InChIKey of 6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-2,6-diamine?
The InChIKey is UNYNBUJSCFYJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F3N9O/c1-40(2)22-8-10-41(11-9-22)23-6-7-26(34-18-23)38-27-17-24-25(19-35-27)37-29(39-28(24)42-12-14-43-15-13-42)36-21-5-3-4-20(16-21)30(31,32)33/h3-7,16-19,22H,8-15H2,1-2H3,(H,34,35,38)(H,36,37,39).
What are the key properties of 6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-2,6-diamine?
6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-2,6-diamine has a molecular weight of 593.66 g/mol, XLogP of 5.29, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-2,6-diamine is sourced from PubChem (CID 141494067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).