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

C26H37N7O3 — CID 59225261

IUPACN-[3-[[5-cyclopropyl-2-[[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
SMILESO=C(NCCCNc1nc(Nc2ccc(OCCN3CCOCC3)nc2)ncc1C1CC1)C1CCC1
InChIInChI=1S/C26H37N7O3/c34-25(20-3-1-4-20)28-10-2-9-27-24-22(19-5-6-19)18-30-26(32-24)31-21-7-8-23(29-17-21)36-16-13-33-11-14-35-15-12-33/h7-8,17-20H,1-6,9-16H2,(H,28,34)(H2,27,30,31,32)
InChIKeyUOPXMCLZUOPHQK-UHFFFAOYSA-N
MW495.63 g/mol
LogP2.92
Rot. Bonds13

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

N-[3-[[5-cyclopropyl-2-[[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide (PubChem CID 59225261) has the molecular formula C26H37N7O3 and a molecular weight of 495.63 g/mol. Its IUPAC name is N-[3-[[5-cyclopropyl-2-[[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[[5-cyclopropyl-2-[[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
PubChem CID59225261
Molecular FormulaC26H37N7O3
Molecular Weight495.63 g/mol
Exact Mass495.30
IUPAC NameN-[3-[[5-cyclopropyl-2-[[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
SMILESO=C(NCCCNc1nc(Nc2ccc(OCCN3CCOCC3)nc2)ncc1C1CC1)C1CCC1
InChIInChI=1S/C26H37N7O3/c34-25(20-3-1-4-20)28-10-2-9-27-24-22(19-5-6-19)18-30-26(32-24)31-21-7-8-23(29-17-21)36-16-13-33-11-14-35-15-12-33/h7-8,17-20H,1-6,9-16H2,(H,28,34)(H2,27,30,31,32)
InChIKeyUOPXMCLZUOPHQK-UHFFFAOYSA-N
XLogP2.92
TPSA113.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[5-cyclopropyl-2-[(1-hydroxy-2-methylisoindol-5-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 90713881
N-[3-[[2-(3-aminoanilino)-5-cyclopropylpyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 68622276
N-[3-[[5-cyclopropyl-2-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 59225340
N-[3-[[5-cyclopropyl-2-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 59225245
N-[3-[[5-cyclopropyl-2-(3-pyridin-4-ylanilino)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 59225381
N-[3-[[5-cyclopropyl-2-[[(4Z)-4-ethylidene-3-methylidenecyclohexa-1,5-dien-1-yl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide;ethane;ethylcyclopropane
CID 143871744
N-[3-[[5-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)-2-propan-2-ylanilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 155414774
3-[[5-cyclopropyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide
CID 68624018
3-[[5-cyclopropyl-2-[(6-piperidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide
CID 68622907
3-[[5-cyclopropyl-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]propanamide
CID 68622843
4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine
CID 68624384
3-[[5-cyclopropyl-2-[3-(1-morpholin-4-ylpropan-2-yl)anilino]pyrimidin-4-yl]amino]propanamide
CID 68896966

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-cyclopropyl-2-[[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[[5-cyclopropyl-2-[[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide (CID 59225261) is N-[3-[[5-cyclopropyl-2-[[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[[5-cyclopropyl-2-[[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[[5-cyclopropyl-2-[[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide is O=C(NCCCNc1nc(Nc2ccc(OCCN3CCOCC3)nc2)ncc1C1CC1)C1CCC1.
What is the InChIKey of N-[3-[[5-cyclopropyl-2-[[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide?
The InChIKey is UOPXMCLZUOPHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N7O3/c34-25(20-3-1-4-20)28-10-2-9-27-24-22(19-5-6-19)18-30-26(32-24)31-21-7-8-23(29-17-21)36-16-13-33-11-14-35-15-12-33/h7-8,17-20H,1-6,9-16H2,(H,28,34)(H2,27,30,31,32).
What are the key properties of N-[3-[[5-cyclopropyl-2-[[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide?
N-[3-[[5-cyclopropyl-2-[[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide has a molecular weight of 495.63 g/mol, XLogP of 2.92, 13 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-cyclopropyl-2-[[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide is sourced from PubChem (CID 59225261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).