3-methyl-7-(4-morpholin-4-ylphenyl)-N-[(3S)-oxolan-3-yl]-4H-pyrido[4,3-d]pyrimidin-5-amine

C22H27N5O2 — CID 66959625

IUPAC3-methyl-7-(4-morpholin-4-ylphenyl)-N-[(3S)-oxolan-3-yl]-4H-pyrido[4,3-d]pyrimidin-5-amine
SMILESCN1C=Nc2cc(-c3ccc(N4CCOCC4)cc3)nc(N[C@H]3CCOC3)c2C1
InChIInChI=1S/C22H27N5O2/c1-26-13-19-21(23-15-26)12-20(25-22(19)24-17-6-9-29-14-17)16-2-4-18(5-3-16)27-7-10-28-11-8-27/h2-5,12,15,17H,6-11,13-14H2,1H3,(H,24,25)/t17-/m0/s1
InChIKeyROGKYIANTAYYJU-KRWDZBQOSA-N
MW393.49 g/mol
LogP2.89
Rot. Bonds4

About 3-methyl-7-(4-morpholin-4-ylphenyl)-N-[(3S)-oxolan-3-yl]-4H-pyrido[4,3-d]pyrimidin-5-amine

3-methyl-7-(4-morpholin-4-ylphenyl)-N-[(3S)-oxolan-3-yl]-4H-pyrido[4,3-d]pyrimidin-5-amine (PubChem CID 66959625) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-methyl-7-(4-morpholin-4-ylphenyl)-N-[(3S)-oxolan-3-yl]-4H-pyrido[4,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name3-methyl-7-(4-morpholin-4-ylphenyl)-N-[(3S)-oxolan-3-yl]-4H-pyrido[4,3-d]pyrimidin-5-amine
PubChem CID66959625
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name3-methyl-7-(4-morpholin-4-ylphenyl)-N-[(3S)-oxolan-3-yl]-4H-pyrido[4,3-d]pyrimidin-5-amine
SMILESCN1C=Nc2cc(-c3ccc(N4CCOCC4)cc3)nc(N[C@H]3CCOC3)c2C1
InChIInChI=1S/C22H27N5O2/c1-26-13-19-21(23-15-26)12-20(25-22(19)24-17-6-9-29-14-17)16-2-4-18(5-3-16)27-7-10-28-11-8-27/h2-5,12,15,17H,6-11,13-14H2,1H3,(H,24,25)/t17-/m0/s1
InChIKeyROGKYIANTAYYJU-KRWDZBQOSA-N
XLogP2.89
TPSA62.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-methyl-7-(4-morpholin-4-ylphenyl)-N-[(3S)-oxolan-3-yl]-4H-pyrido[4,3-d]pyrimidin-5-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(4-morpholin-4-ylphenyl)-N-[(3S)-oxolan-3-yl]-4H-pyrido[4,3-d]pyrimidin-5-amine?
The IUPAC name of 3-methyl-7-(4-morpholin-4-ylphenyl)-N-[(3S)-oxolan-3-yl]-4H-pyrido[4,3-d]pyrimidin-5-amine (CID 66959625) is 3-methyl-7-(4-morpholin-4-ylphenyl)-N-[(3S)-oxolan-3-yl]-4H-pyrido[4,3-d]pyrimidin-5-amine.
What is the SMILES notation for 3-methyl-7-(4-morpholin-4-ylphenyl)-N-[(3S)-oxolan-3-yl]-4H-pyrido[4,3-d]pyrimidin-5-amine?
The canonical SMILES for 3-methyl-7-(4-morpholin-4-ylphenyl)-N-[(3S)-oxolan-3-yl]-4H-pyrido[4,3-d]pyrimidin-5-amine is CN1C=Nc2cc(-c3ccc(N4CCOCC4)cc3)nc(N[C@H]3CCOC3)c2C1.
What is the InChIKey of 3-methyl-7-(4-morpholin-4-ylphenyl)-N-[(3S)-oxolan-3-yl]-4H-pyrido[4,3-d]pyrimidin-5-amine?
The InChIKey is ROGKYIANTAYYJU-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-26-13-19-21(23-15-26)12-20(25-22(19)24-17-6-9-29-14-17)16-2-4-18(5-3-16)27-7-10-28-11-8-27/h2-5,12,15,17H,6-11,13-14H2,1H3,(H,24,25)/t17-/m0/s1.
What are the key properties of 3-methyl-7-(4-morpholin-4-ylphenyl)-N-[(3S)-oxolan-3-yl]-4H-pyrido[4,3-d]pyrimidin-5-amine?
3-methyl-7-(4-morpholin-4-ylphenyl)-N-[(3S)-oxolan-3-yl]-4H-pyrido[4,3-d]pyrimidin-5-amine has a molecular weight of 393.49 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(4-morpholin-4-ylphenyl)-N-[(3S)-oxolan-3-yl]-4H-pyrido[4,3-d]pyrimidin-5-amine is sourced from PubChem (CID 66959625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).