ethane;4-[2-(2-piperidin-4-ylpyrimidin-4-yl)pyrido[3,2-d]pyrimidin-4-yl]morpholine

C22H29N7O — CID 168922532

IUPACethane;4-[2-(2-piperidin-4-ylpyrimidin-4-yl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESCC.c1cnc2c(N3CCOCC3)nc(-c3ccnc(C4CCNCC4)n3)nc2c1
InChIInChI=1S/C20H23N7O.C2H6/c1-2-15-17(22-6-1)20(27-10-12-28-13-11-27)26-19(24-15)16-5-9-23-18(25-16)14-3-7-21-8-4-14;1-2/h1-2,5-6,9,14,21H,3-4,7-8,10-13H2;1-2H3
InChIKeyBBFIKWRDEPACIL-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.81
Rot. Bonds3

About ethane;4-[2-(2-piperidin-4-ylpyrimidin-4-yl)pyrido[3,2-d]pyrimidin-4-yl]morpholine

ethane;4-[2-(2-piperidin-4-ylpyrimidin-4-yl)pyrido[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 168922532) has the molecular formula C22H29N7O and a molecular weight of 407.52 g/mol. Its IUPAC name is ethane;4-[2-(2-piperidin-4-ylpyrimidin-4-yl)pyrido[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Nameethane;4-[2-(2-piperidin-4-ylpyrimidin-4-yl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID168922532
Molecular FormulaC22H29N7O
Molecular Weight407.52 g/mol
Exact Mass407.24
IUPAC Nameethane;4-[2-(2-piperidin-4-ylpyrimidin-4-yl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESCC.c1cnc2c(N3CCOCC3)nc(-c3ccnc(C4CCNCC4)n3)nc2c1
InChIInChI=1S/C20H23N7O.C2H6/c1-2-15-17(22-6-1)20(27-10-12-28-13-11-27)26-19(24-15)16-5-9-23-18(25-16)14-3-7-21-8-4-14;1-2/h1-2,5-6,9,14,21H,3-4,7-8,10-13H2;1-2H3
InChIKeyBBFIKWRDEPACIL-UHFFFAOYSA-N
XLogP2.81
TPSA88.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethane;4-[2-(2-piperidin-4-ylpyrimidin-4-yl)pyrido[3,2-d]pyrimidin-4-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(6-piperidin-4-yl-2-pyridinyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 168922642
tert-butyl 4-[4-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 168922554
3-methyl-4-[2-(2-phenylpyrimidin-4-yl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 168922645
ethane;4-(7-phenyl-4-piperidin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine
CID 168923667
5-(6-cyclopropyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 58405017
ethane;4-(3-methyl-2-pyridinyl)morpholine
CID 143966357
2-piperidin-4-yl-1,5-naphthyridin-4-amine
CID 175301016
4-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)morpholine;dihydrochloride
CID 165432105
4-[2-(5-fluoro-1H-indol-4-yl)-6-(piperidin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 58404994
4-[2-[5-methoxy-2-(3-methylphenyl)pyrimidin-4-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 168922588
tert-butyl 3-[4-(9-methyl-6-morpholin-4-yl-8-pyridin-4-ylpurin-2-yl)pyrimidin-2-yl]piperidine-1-carboxylate
CID 162379193
4-[2-(3-pyridin-2-ylpyrazol-1-yl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 168922650

Frequently Asked Questions

What is the IUPAC name of ethane;4-[2-(2-piperidin-4-ylpyrimidin-4-yl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of ethane;4-[2-(2-piperidin-4-ylpyrimidin-4-yl)pyrido[3,2-d]pyrimidin-4-yl]morpholine (CID 168922532) is ethane;4-[2-(2-piperidin-4-ylpyrimidin-4-yl)pyrido[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for ethane;4-[2-(2-piperidin-4-ylpyrimidin-4-yl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for ethane;4-[2-(2-piperidin-4-ylpyrimidin-4-yl)pyrido[3,2-d]pyrimidin-4-yl]morpholine is CC.c1cnc2c(N3CCOCC3)nc(-c3ccnc(C4CCNCC4)n3)nc2c1.
What is the InChIKey of ethane;4-[2-(2-piperidin-4-ylpyrimidin-4-yl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is BBFIKWRDEPACIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O.C2H6/c1-2-15-17(22-6-1)20(27-10-12-28-13-11-27)26-19(24-15)16-5-9-23-18(25-16)14-3-7-21-8-4-14;1-2/h1-2,5-6,9,14,21H,3-4,7-8,10-13H2;1-2H3.
What are the key properties of ethane;4-[2-(2-piperidin-4-ylpyrimidin-4-yl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
ethane;4-[2-(2-piperidin-4-ylpyrimidin-4-yl)pyrido[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 407.52 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[2-(2-piperidin-4-ylpyrimidin-4-yl)pyrido[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 168922532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).