3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol

C22H25N5O3 — CID 118237198

IUPAC3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)c3ncc(CN4CCOCC4)cc3n2)c1
InChIInChI=1S/C22H25N5O3/c28-18-3-1-2-17(13-18)21-24-19-12-16(15-26-4-8-29-9-5-26)14-23-20(19)22(25-21)27-6-10-30-11-7-27/h1-3,12-14,28H,4-11,15H2
InChIKeyDFDIMRBOPQIRBG-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.07
Rot. Bonds4

About 3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol

3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol (PubChem CID 118237198) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol
PubChem CID118237198
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)c3ncc(CN4CCOCC4)cc3n2)c1
InChIInChI=1S/C22H25N5O3/c28-18-3-1-2-17(13-18)21-24-19-12-16(15-26-4-8-29-9-5-26)14-23-20(19)22(25-21)27-6-10-30-11-7-27/h1-3,12-14,28H,4-11,15H2
InChIKeyDFDIMRBOPQIRBG-UHFFFAOYSA-N
XLogP2.07
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol 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

3-[2-Morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol
CID 10405525
3-(2,4-Diaminopteridin-6-yl)phenol
CID 17751063
3-[7-(3-Hydroxyphenyl)pteridin-6-yl]phenol
CID 17755300
1-[3-(Hydroxymethyl)phenyl]-3-[4-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]urea
CID 76317469
3-(4-Morpholinopyrido[3,2-d]pyrimidin-2-yl)phenol
CID 9879653
3-(8-Morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol
CID 9922221
2-Amino-4-(morpholin-4-yl)-6-(3,4-dimethoxyphenyl)pteridine
CID 11176099
3-(2-Morpholinopyrimidin-4-yl)phenol
CID 16049526
3-(2-morpholino-7-(pyridin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24888752
3-(2-morpholino-7-(pyridin-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24888918
3-[7-(2-Methyl-pyridin-4-yl)-2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]-phenol
CID 24889090
3-(9-((1-benzylpiperidin-4-yl)methyl)-6-morpholino-9H-purin-2-yl)phenol
CID 25070553

Frequently Asked Questions

What is the IUPAC name of 3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol?
The IUPAC name of 3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol (CID 118237198) is 3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol is Oc1cccc(-c2nc(N3CCOCC3)c3ncc(CN4CCOCC4)cc3n2)c1.
What is the InChIKey of 3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol?
The InChIKey is DFDIMRBOPQIRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c28-18-3-1-2-17(13-18)21-24-19-12-16(15-26-4-8-29-9-5-26)14-23-20(19)22(25-21)27-6-10-30-11-7-27/h1-3,12-14,28H,4-11,15H2.
What are the key properties of 3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol?
3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol has a molecular weight of 407.47 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenol is sourced from PubChem (CID 118237198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).