N-[3-[[5-cyclopropyl-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide

C24H33N7O2 — CID 59225285

IUPACN-[3-[[5-cyclopropyl-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
SMILESO=C(NCCCNc1nc(Nc2ccc(N3CCOCC3)nc2)ncc1C1CC1)C1CCC1
InChIInChI=1S/C24H33N7O2/c32-23(18-3-1-4-18)26-10-2-9-25-22-20(17-5-6-17)16-28-24(30-22)29-19-7-8-21(27-15-19)31-11-13-33-14-12-31/h7-8,15-18H,1-6,9-14H2,(H,26,32)(H2,25,28,29,30)
InChIKeyOGBCWLLWFKPBKH-UHFFFAOYSA-N
MW451.58 g/mol
LogP3.05
Rot. Bonds10

About N-[3-[[5-cyclopropyl-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide

N-[3-[[5-cyclopropyl-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide (PubChem CID 59225285) has the molecular formula C24H33N7O2 and a molecular weight of 451.58 g/mol. Its IUPAC name is N-[3-[[5-cyclopropyl-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[[5-cyclopropyl-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
PubChem CID59225285
Molecular FormulaC24H33N7O2
Molecular Weight451.58 g/mol
Exact Mass451.27
IUPAC NameN-[3-[[5-cyclopropyl-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
SMILESO=C(NCCCNc1nc(Nc2ccc(N3CCOCC3)nc2)ncc1C1CC1)C1CCC1
InChIInChI=1S/C24H33N7O2/c32-23(18-3-1-4-18)26-10-2-9-25-22-20(17-5-6-17)16-28-24(30-22)29-19-7-8-21(27-15-19)31-11-13-33-14-12-31/h7-8,15-18H,1-6,9-14H2,(H,26,32)(H2,25,28,29,30)
InChIKeyOGBCWLLWFKPBKH-UHFFFAOYSA-N
XLogP3.05
TPSA104.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.58
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-cyclopropyl-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[[5-cyclopropyl-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide (CID 59225285) is N-[3-[[5-cyclopropyl-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[[5-cyclopropyl-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[[5-cyclopropyl-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide is O=C(NCCCNc1nc(Nc2ccc(N3CCOCC3)nc2)ncc1C1CC1)C1CCC1.
What is the InChIKey of N-[3-[[5-cyclopropyl-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide?
The InChIKey is OGBCWLLWFKPBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O2/c32-23(18-3-1-4-18)26-10-2-9-25-22-20(17-5-6-17)16-28-24(30-22)29-19-7-8-21(27-15-19)31-11-13-33-14-12-31/h7-8,15-18H,1-6,9-14H2,(H,26,32)(H2,25,28,29,30).
What are the key properties of N-[3-[[5-cyclopropyl-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide?
N-[3-[[5-cyclopropyl-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide has a molecular weight of 451.58 g/mol, XLogP of 3.05, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-cyclopropyl-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide is sourced from PubChem (CID 59225285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).