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

C29H35N9O — CID 141494046

IUPAC6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-phenylpyrido[3,4-d]pyrimidine-2,6-diamine
SMILESCN(C)C1CCN(c2ccc(Nc3cc4c(N5CCOCC5)nc(Nc5ccccc5)nc4cn3)nc2)CC1
InChIInChI=1S/C29H35N9O/c1-36(2)22-10-12-37(13-11-22)23-8-9-26(30-19-23)34-27-18-24-25(20-31-27)33-29(32-21-6-4-3-5-7-21)35-28(24)38-14-16-39-17-15-38/h3-9,18-20,22H,10-17H2,1-2H3,(H,30,31,34)(H,32,33,35)
InChIKeyXYDAZVRNJCOJIB-UHFFFAOYSA-N
MW525.66 g/mol
LogP4.27
Rot. Bonds7

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

6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-phenylpyrido[3,4-d]pyrimidine-2,6-diamine (PubChem CID 141494046) has the molecular formula C29H35N9O and a molecular weight of 525.66 g/mol. Its IUPAC name is 6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-phenylpyrido[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-phenylpyrido[3,4-d]pyrimidine-2,6-diamine
PubChem CID141494046
Molecular FormulaC29H35N9O
Molecular Weight525.66 g/mol
Exact Mass525.30
IUPAC Name6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-phenylpyrido[3,4-d]pyrimidine-2,6-diamine
SMILESCN(C)C1CCN(c2ccc(Nc3cc4c(N5CCOCC5)nc(Nc5ccccc5)nc4cn3)nc2)CC1
InChIInChI=1S/C29H35N9O/c1-36(2)22-10-12-37(13-11-22)23-8-9-26(30-19-23)34-27-18-24-25(20-31-27)33-29(32-21-6-4-3-5-7-21)35-28(24)38-14-16-39-17-15-38/h3-9,18-20,22H,10-17H2,1-2H3,(H,30,31,34)(H,32,33,35)
InChIKeyXYDAZVRNJCOJIB-UHFFFAOYSA-N
XLogP4.27
TPSA94.57 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.66
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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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-phenylpyrido[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-phenylpyrido[3,4-d]pyrimidine-2,6-diamine (CID 141494046) is 6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-phenylpyrido[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-phenylpyrido[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-phenylpyrido[3,4-d]pyrimidine-2,6-diamine is CN(C)C1CCN(c2ccc(Nc3cc4c(N5CCOCC5)nc(Nc5ccccc5)nc4cn3)nc2)CC1.
What is the InChIKey of 6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-phenylpyrido[3,4-d]pyrimidine-2,6-diamine?
The InChIKey is XYDAZVRNJCOJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N9O/c1-36(2)22-10-12-37(13-11-22)23-8-9-26(30-19-23)34-27-18-24-25(20-31-27)33-29(32-21-6-4-3-5-7-21)35-28(24)38-14-16-39-17-15-38/h3-9,18-20,22H,10-17H2,1-2H3,(H,30,31,34)(H,32,33,35).
What are the key properties of 6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-phenylpyrido[3,4-d]pyrimidine-2,6-diamine?
6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-phenylpyrido[3,4-d]pyrimidine-2,6-diamine has a molecular weight of 525.66 g/mol, XLogP of 4.27, 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-phenylpyrido[3,4-d]pyrimidine-2,6-diamine is sourced from PubChem (CID 141494046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).