2-(2-aminopyrimidin-5-yl)-4-morpholin-4-yl-N-pyridin-2-ylquinazolin-8-amine

C21H20N8O — CID 127029598

IUPAC2-(2-aminopyrimidin-5-yl)-4-morpholin-4-yl-N-pyridin-2-ylquinazolin-8-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)c3cccc(Nc4ccccn4)c3n2)cn1
InChIInChI=1S/C21H20N8O/c22-21-24-12-14(13-25-21)19-27-18-15(20(28-19)29-8-10-30-11-9-29)4-3-5-16(18)26-17-6-1-2-7-23-17/h1-7,12-13H,8-11H2,(H,23,26)(H2,22,24,25)
InChIKeyPVRCAZFIRNQVFX-UHFFFAOYSA-N
MW400.45 g/mol
LogP2.64
Rot. Bonds4

About 2-(2-aminopyrimidin-5-yl)-4-morpholin-4-yl-N-pyridin-2-ylquinazolin-8-amine

2-(2-aminopyrimidin-5-yl)-4-morpholin-4-yl-N-pyridin-2-ylquinazolin-8-amine (PubChem CID 127029598) has the molecular formula C21H20N8O and a molecular weight of 400.45 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-5-yl)-4-morpholin-4-yl-N-pyridin-2-ylquinazolin-8-amine.

Molecular Properties

Compound Name2-(2-aminopyrimidin-5-yl)-4-morpholin-4-yl-N-pyridin-2-ylquinazolin-8-amine
PubChem CID127029598
Molecular FormulaC21H20N8O
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC Name2-(2-aminopyrimidin-5-yl)-4-morpholin-4-yl-N-pyridin-2-ylquinazolin-8-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)c3cccc(Nc4ccccn4)c3n2)cn1
InChIInChI=1S/C21H20N8O/c22-21-24-12-14(13-25-21)19-27-18-15(20(28-19)29-8-10-30-11-9-29)4-3-5-16(18)26-17-6-1-2-7-23-17/h1-7,12-13H,8-11H2,(H,23,26)(H2,22,24,25)
InChIKeyPVRCAZFIRNQVFX-UHFFFAOYSA-N
XLogP2.64
TPSA114.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

5-(6-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 59829563
5-[8-(2-fluoroethoxy)-6-[2-fluoro-3-(3-fluoropropylsulfanylamino)phenyl]-4-morpholin-4-ylquinazolin-2-yl]pyrimidin-2-amine
CID 138479882
3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]benzoic acid
CID 25109374
5-(9-ethyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
CID 143903048
5-[6-(2-fluoro-4-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 59829258
5-(2-methyl-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)pyrimidin-2-amine
CID 143782763
5-(8-ethyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
CID 127049341
5-(6-cyclopropyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 58405017
5-(5-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 59829304
5-(4-morpholin-4-yl-6-propan-2-yloxypyrido[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 53377951
5-[6-morpholin-4-yl-9-(3-morpholin-4-ylpropyl)purin-2-yl]pyrimidin-2-amine
CID 66909825
5-[4-morpholin-4-yl-6-[3-(2H-tetrazol-5-yl)phenyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 25109321

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-5-yl)-4-morpholin-4-yl-N-pyridin-2-ylquinazolin-8-amine?
The IUPAC name of 2-(2-aminopyrimidin-5-yl)-4-morpholin-4-yl-N-pyridin-2-ylquinazolin-8-amine (CID 127029598) is 2-(2-aminopyrimidin-5-yl)-4-morpholin-4-yl-N-pyridin-2-ylquinazolin-8-amine.
What is the SMILES notation for 2-(2-aminopyrimidin-5-yl)-4-morpholin-4-yl-N-pyridin-2-ylquinazolin-8-amine?
The canonical SMILES for 2-(2-aminopyrimidin-5-yl)-4-morpholin-4-yl-N-pyridin-2-ylquinazolin-8-amine is Nc1ncc(-c2nc(N3CCOCC3)c3cccc(Nc4ccccn4)c3n2)cn1.
What is the InChIKey of 2-(2-aminopyrimidin-5-yl)-4-morpholin-4-yl-N-pyridin-2-ylquinazolin-8-amine?
The InChIKey is PVRCAZFIRNQVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O/c22-21-24-12-14(13-25-21)19-27-18-15(20(28-19)29-8-10-30-11-9-29)4-3-5-16(18)26-17-6-1-2-7-23-17/h1-7,12-13H,8-11H2,(H,23,26)(H2,22,24,25).
What are the key properties of 2-(2-aminopyrimidin-5-yl)-4-morpholin-4-yl-N-pyridin-2-ylquinazolin-8-amine?
2-(2-aminopyrimidin-5-yl)-4-morpholin-4-yl-N-pyridin-2-ylquinazolin-8-amine has a molecular weight of 400.45 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-5-yl)-4-morpholin-4-yl-N-pyridin-2-ylquinazolin-8-amine is sourced from PubChem (CID 127029598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).