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

C28H34N10O — CID 141494061

IUPAC6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-pyridin-3-ylpyrido[3,4-d]pyrimidine-2,6-diamine
SMILESCN(C)C1CCN(c2ccc(Nc3cc4c(N5CCOCC5)nc(Nc5cccnc5)nc4cn3)nc2)CC1
InChIInChI=1S/C28H34N10O/c1-36(2)21-7-10-37(11-8-21)22-5-6-25(30-18-22)34-26-16-23-24(19-31-26)33-28(32-20-4-3-9-29-17-20)35-27(23)38-12-14-39-15-13-38/h3-6,9,16-19,21H,7-8,10-15H2,1-2H3,(H,30,31,34)(H,32,33,35)
InChIKeyNVDFJJCEWNRKLP-UHFFFAOYSA-N
MW526.65 g/mol
LogP3.67
Rot. Bonds7

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

6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-pyridin-3-ylpyrido[3,4-d]pyrimidine-2,6-diamine (PubChem CID 141494061) has the molecular formula C28H34N10O and a molecular weight of 526.65 g/mol. Its IUPAC name is 6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-pyridin-3-ylpyrido[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-pyridin-3-ylpyrido[3,4-d]pyrimidine-2,6-diamine
PubChem CID141494061
Molecular FormulaC28H34N10O
Molecular Weight526.65 g/mol
Exact Mass526.29
IUPAC Name6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-pyridin-3-ylpyrido[3,4-d]pyrimidine-2,6-diamine
SMILESCN(C)C1CCN(c2ccc(Nc3cc4c(N5CCOCC5)nc(Nc5cccnc5)nc4cn3)nc2)CC1
InChIInChI=1S/C28H34N10O/c1-36(2)21-7-10-37(11-8-21)22-5-6-25(30-18-22)34-26-16-23-24(19-31-26)33-28(32-20-4-3-9-29-17-20)35-27(23)38-12-14-39-15-13-38/h3-6,9,16-19,21H,7-8,10-15H2,1-2H3,(H,30,31,34)(H,32,33,35)
InChIKeyNVDFJJCEWNRKLP-UHFFFAOYSA-N
XLogP3.67
TPSA107.46 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.65
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-pyridin-3-ylpyrido[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-pyridin-3-ylpyrido[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-pyridin-3-ylpyrido[3,4-d]pyrimidine-2,6-diamine (CID 141494061) is 6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-pyridin-3-ylpyrido[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-pyridin-3-ylpyrido[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-pyridin-3-ylpyrido[3,4-d]pyrimidine-2,6-diamine is CN(C)C1CCN(c2ccc(Nc3cc4c(N5CCOCC5)nc(Nc5cccnc5)nc4cn3)nc2)CC1.
What is the InChIKey of 6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-pyridin-3-ylpyrido[3,4-d]pyrimidine-2,6-diamine?
The InChIKey is NVDFJJCEWNRKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N10O/c1-36(2)21-7-10-37(11-8-21)22-5-6-25(30-18-22)34-26-16-23-24(19-31-26)33-28(32-20-4-3-9-29-17-20)35-27(23)38-12-14-39-15-13-38/h3-6,9,16-19,21H,7-8,10-15H2,1-2H3,(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-pyridin-3-ylpyrido[3,4-d]pyrimidine-2,6-diamine?
6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-pyridin-3-ylpyrido[3,4-d]pyrimidine-2,6-diamine has a molecular weight of 526.65 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 11 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-pyridin-3-ylpyrido[3,4-d]pyrimidine-2,6-diamine is sourced from PubChem (CID 141494061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).