4-(2-morpholin-4-ylquinazolin-6-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine

C24H27N9O — CID 169265884

IUPAC4-(2-morpholin-4-ylquinazolin-6-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine
SMILESc1cc(-c2ccc3nc(N4CCOCC4)ncc3c2)nc(Nc2cnn(C3CCNCC3)c2)n1
InChIInChI=1S/C24H27N9O/c1-2-21-18(14-27-24(31-21)32-9-11-34-12-10-32)13-17(1)22-5-8-26-23(30-22)29-19-15-28-33(16-19)20-3-6-25-7-4-20/h1-2,5,8,13-16,20,25H,3-4,6-7,9-12H2,(H,26,29,30)
InChIKeyKAEJBHCXBMUJRI-UHFFFAOYSA-N
MW457.54 g/mol
LogP2.79
Rot. Bonds5

About 4-(2-morpholin-4-ylquinazolin-6-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine

4-(2-morpholin-4-ylquinazolin-6-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 169265884) has the molecular formula C24H27N9O and a molecular weight of 457.54 g/mol. Its IUPAC name is 4-(2-morpholin-4-ylquinazolin-6-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-morpholin-4-ylquinazolin-6-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID169265884
Molecular FormulaC24H27N9O
Molecular Weight457.54 g/mol
Exact Mass457.23
IUPAC Name4-(2-morpholin-4-ylquinazolin-6-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine
SMILESc1cc(-c2ccc3nc(N4CCOCC4)ncc3c2)nc(Nc2cnn(C3CCNCC3)c2)n1
InChIInChI=1S/C24H27N9O/c1-2-21-18(14-27-24(31-21)32-9-11-34-12-10-32)13-17(1)22-5-8-26-23(30-22)29-19-15-28-33(16-19)20-3-6-25-7-4-20/h1-2,5,8,13-16,20,25H,3-4,6-7,9-12H2,(H,26,29,30)
InChIKeyKAEJBHCXBMUJRI-UHFFFAOYSA-N
XLogP2.79
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-ylquinazolin-6-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(2-morpholin-4-ylquinazolin-6-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine (CID 169265884) is 4-(2-morpholin-4-ylquinazolin-6-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-morpholin-4-ylquinazolin-6-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-morpholin-4-ylquinazolin-6-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine is c1cc(-c2ccc3nc(N4CCOCC4)ncc3c2)nc(Nc2cnn(C3CCNCC3)c2)n1.
What is the InChIKey of 4-(2-morpholin-4-ylquinazolin-6-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is KAEJBHCXBMUJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N9O/c1-2-21-18(14-27-24(31-21)32-9-11-34-12-10-32)13-17(1)22-5-8-26-23(30-22)29-19-15-28-33(16-19)20-3-6-25-7-4-20/h1-2,5,8,13-16,20,25H,3-4,6-7,9-12H2,(H,26,29,30).
What are the key properties of 4-(2-morpholin-4-ylquinazolin-6-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine?
4-(2-morpholin-4-ylquinazolin-6-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 457.54 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-ylquinazolin-6-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 169265884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).