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

C29H36N10O — CID 141494031

IUPAC6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidine-2,6-diamine
SMILESCN(C)C1CCN(c2ccc(Nc3cc4c(N5CCOCC5)nc(NCc5ccccn5)nc4cn3)nc2)CC1
InChIInChI=1S/C29H36N10O/c1-37(2)22-8-11-38(12-9-22)23-6-7-26(31-19-23)35-27-17-24-25(20-32-27)34-29(33-18-21-5-3-4-10-30-21)36-28(24)39-13-15-40-16-14-39/h3-7,10,17,19-20,22H,8-9,11-16,18H2,1-2H3,(H,31,32,35)(H,33,34,36)
InChIKeyBAVJHMYSVFFICV-UHFFFAOYSA-N
MW540.68 g/mol
LogP3.54
Rot. Bonds8

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

6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidine-2,6-diamine (PubChem CID 141494031) has the molecular formula C29H36N10O and a molecular weight of 540.68 g/mol. Its IUPAC name is 6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-(pyridin-2-ylmethyl)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-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidine-2,6-diamine
PubChem CID141494031
Molecular FormulaC29H36N10O
Molecular Weight540.68 g/mol
Exact Mass540.31
IUPAC Name6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidine-2,6-diamine
SMILESCN(C)C1CCN(c2ccc(Nc3cc4c(N5CCOCC5)nc(NCc5ccccn5)nc4cn3)nc2)CC1
InChIInChI=1S/C29H36N10O/c1-37(2)22-8-11-38(12-9-22)23-6-7-26(31-19-23)35-27-17-24-25(20-32-27)34-29(33-18-21-5-3-4-10-30-21)36-28(24)39-13-15-40-16-14-39/h3-7,10,17,19-20,22H,8-9,11-16,18H2,1-2H3,(H,31,32,35)(H,33,34,36)
InChIKeyBAVJHMYSVFFICV-UHFFFAOYSA-N
XLogP3.54
TPSA107.46 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.68
LogP ≤ 53.54
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-2-ylmethyl)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-(pyridin-2-ylmethyl)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-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidine-2,6-diamine (CID 141494031) is 6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-(pyridin-2-ylmethyl)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-(pyridin-2-ylmethyl)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-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidine-2,6-diamine is CN(C)C1CCN(c2ccc(Nc3cc4c(N5CCOCC5)nc(NCc5ccccn5)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-2-ylmethyl)pyrido[3,4-d]pyrimidine-2,6-diamine?
The InChIKey is BAVJHMYSVFFICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N10O/c1-37(2)22-8-11-38(12-9-22)23-6-7-26(31-19-23)35-27-17-24-25(20-32-27)34-29(33-18-21-5-3-4-10-30-21)36-28(24)39-13-15-40-16-14-39/h3-7,10,17,19-20,22H,8-9,11-16,18H2,1-2H3,(H,31,32,35)(H,33,34,36).
What are the key properties of 6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidine-2,6-diamine?
6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidine-2,6-diamine has a molecular weight of 540.68 g/mol, XLogP of 3.54, 8 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-2-ylmethyl)pyrido[3,4-d]pyrimidine-2,6-diamine is sourced from PubChem (CID 141494031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).