2-(2-aminopyrimidin-5-yl)-4-morpholin-4-yl-N-pyridin-3-ylquinazolin-7-amine

C21H20N8O — CID 127029061

IUPAC2-(2-aminopyrimidin-5-yl)-4-morpholin-4-yl-N-pyridin-3-ylquinazolin-7-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)c3ccc(Nc4cccnc4)cc3n2)cn1
InChIInChI=1S/C21H20N8O/c22-21-24-11-14(12-25-21)19-27-18-10-15(26-16-2-1-5-23-13-16)3-4-17(18)20(28-19)29-6-8-30-9-7-29/h1-5,10-13,26H,6-9H2,(H2,22,24,25)
InChIKeySMMLLDJFRZDHOK-UHFFFAOYSA-N
MW400.45 g/mol
LogP2.64
Rot. Bonds4

About 2-(2-aminopyrimidin-5-yl)-4-morpholin-4-yl-N-pyridin-3-ylquinazolin-7-amine

2-(2-aminopyrimidin-5-yl)-4-morpholin-4-yl-N-pyridin-3-ylquinazolin-7-amine (PubChem CID 127029061) 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-3-ylquinazolin-7-amine.

Molecular Properties

Compound Name2-(2-aminopyrimidin-5-yl)-4-morpholin-4-yl-N-pyridin-3-ylquinazolin-7-amine
PubChem CID127029061
Molecular FormulaC21H20N8O
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC Name2-(2-aminopyrimidin-5-yl)-4-morpholin-4-yl-N-pyridin-3-ylquinazolin-7-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)c3ccc(Nc4cccnc4)cc3n2)cn1
InChIInChI=1S/C21H20N8O/c22-21-24-11-14(12-25-21)19-27-18-10-15(26-16-2-1-5-23-13-16)3-4-17(18)20(28-19)29-6-8-30-9-7-29/h1-5,10-13,26H,6-9H2,(H2,22,24,25)
InChIKeySMMLLDJFRZDHOK-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-5-yl)-4-morpholin-4-yl-N-pyridin-3-ylquinazolin-7-amine?
The IUPAC name of 2-(2-aminopyrimidin-5-yl)-4-morpholin-4-yl-N-pyridin-3-ylquinazolin-7-amine (CID 127029061) is 2-(2-aminopyrimidin-5-yl)-4-morpholin-4-yl-N-pyridin-3-ylquinazolin-7-amine.
What is the SMILES notation for 2-(2-aminopyrimidin-5-yl)-4-morpholin-4-yl-N-pyridin-3-ylquinazolin-7-amine?
The canonical SMILES for 2-(2-aminopyrimidin-5-yl)-4-morpholin-4-yl-N-pyridin-3-ylquinazolin-7-amine is Nc1ncc(-c2nc(N3CCOCC3)c3ccc(Nc4cccnc4)cc3n2)cn1.
What is the InChIKey of 2-(2-aminopyrimidin-5-yl)-4-morpholin-4-yl-N-pyridin-3-ylquinazolin-7-amine?
The InChIKey is SMMLLDJFRZDHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O/c22-21-24-11-14(12-25-21)19-27-18-10-15(26-16-2-1-5-23-13-16)3-4-17(18)20(28-19)29-6-8-30-9-7-29/h1-5,10-13,26H,6-9H2,(H2,22,24,25).
What are the key properties of 2-(2-aminopyrimidin-5-yl)-4-morpholin-4-yl-N-pyridin-3-ylquinazolin-7-amine?
2-(2-aminopyrimidin-5-yl)-4-morpholin-4-yl-N-pyridin-3-ylquinazolin-7-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-3-ylquinazolin-7-amine is sourced from PubChem (CID 127029061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).