N-[3-[[5-cyclopropyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide

C20H26N6O — CID 59225334

IUPACN-[3-[[5-cyclopropyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
SMILESO=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1
InChIInChI=1S/C20H26N6O/c27-19(15-4-1-5-15)23-11-3-10-22-18-17(14-7-8-14)13-24-20(26-18)25-16-6-2-9-21-12-16/h2,6,9,12-15H,1,3-5,7-8,10-11H2,(H,23,27)(H2,22,24,25,26)
InChIKeyDAAZPAUBEVGXFD-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.21
Rot. Bonds9

About N-[3-[[5-cyclopropyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide

N-[3-[[5-cyclopropyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide (PubChem CID 59225334) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[3-[[5-cyclopropyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[[5-cyclopropyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
PubChem CID59225334
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC NameN-[3-[[5-cyclopropyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
SMILESO=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1
InChIInChI=1S/C20H26N6O/c27-19(15-4-1-5-15)23-11-3-10-22-18-17(14-7-8-14)13-24-20(26-18)25-16-6-2-9-21-12-16/h2,6,9,12-15H,1,3-5,7-8,10-11H2,(H,23,27)(H2,22,24,25,26)
InChIKeyDAAZPAUBEVGXFD-UHFFFAOYSA-N
XLogP3.21
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(pyridin-3-ylamino)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[[5-cyclopropyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide (CID 59225334) is N-[3-[[5-cyclopropyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[[5-cyclopropyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[[5-cyclopropyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide is O=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1.
What is the InChIKey of N-[3-[[5-cyclopropyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide?
The InChIKey is DAAZPAUBEVGXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c27-19(15-4-1-5-15)23-11-3-10-22-18-17(14-7-8-14)13-24-20(26-18)25-16-6-2-9-21-12-16/h2,6,9,12-15H,1,3-5,7-8,10-11H2,(H,23,27)(H2,22,24,25,26).
What are the key properties of N-[3-[[5-cyclopropyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide?
N-[3-[[5-cyclopropyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.21, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-cyclopropyl-2-(pyridin-3-ylamino)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide is sourced from PubChem (CID 59225334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).