5-hydroxy-2-(2-morpholin-4-ylethylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxamide

C24H24N6O3 — CID 91570828

IUPAC5-hydroxy-2-(2-morpholin-4-ylethylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxamide
SMILESNC(=O)c1nc(NCCN2CCOCC2)nc(-c2ccc(C#Cc3cccnc3)cc2)c1O
InChIInChI=1S/C24H24N6O3/c25-23(32)21-22(31)20(28-24(29-21)27-10-11-30-12-14-33-15-13-30)19-7-5-17(6-8-19)3-4-18-2-1-9-26-16-18/h1-2,5-9,16,31H,10-15H2,(H2,25,32)(H,27,28,29)
InChIKeyWWMKPMNJSDKKSY-UHFFFAOYSA-N
MW444.50 g/mol
LogP1.49
Rot. Bonds6

About 5-hydroxy-2-(2-morpholin-4-ylethylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxamide

5-hydroxy-2-(2-morpholin-4-ylethylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 91570828) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 5-hydroxy-2-(2-morpholin-4-ylethylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-2-(2-morpholin-4-ylethylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxamide
PubChem CID91570828
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name5-hydroxy-2-(2-morpholin-4-ylethylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxamide
SMILESNC(=O)c1nc(NCCN2CCOCC2)nc(-c2ccc(C#Cc3cccnc3)cc2)c1O
InChIInChI=1S/C24H24N6O3/c25-23(32)21-22(31)20(28-24(29-21)27-10-11-30-12-14-33-15-13-30)19-7-5-17(6-8-19)3-4-18-2-1-9-26-16-18/h1-2,5-9,16,31H,10-15H2,(H2,25,32)(H,27,28,29)
InChIKeyWWMKPMNJSDKKSY-UHFFFAOYSA-N
XLogP1.49
TPSA126.49 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]-2-(propan-2-ylcarbamoylamino)pyrimidine-4-carboxamide
CID 91202067
N-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyridin-2-amine
CID 68563520
2-fluoro-5-[4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide
CID 90322943
N-(2-morpholin-4-ylethyl)-4-oxo-4-pyridin-3-ylbutanamide
CID 110408170
2-(2,6-difluorophenyl)-5-[4-(2-morpholin-4-ylethylamino)phenyl]-1,3-oxazole-4-carboxamide
CID 68518780
N-hydroxy-2-(3-morpholin-4-ylazetidin-1-yl)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide
CID 87562404
5-amino-4-(5-methylfuran-2-yl)-2-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 58125858
2-morpholin-4-ylethyl pyridine-3-carboxylate;hydrochloride
CID 50944397
4-(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668004
4-butyl-N-(2-morpholin-4-ylethyl)-6-(2-phenylethynyl)pyrimidin-2-amine
CID 91459194
2-(2,2-dimethylpropanoylamino)-3-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide
CID 91284491
N-(2-morpholin-4-ylethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 47039155

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(2-morpholin-4-ylethylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 5-hydroxy-2-(2-morpholin-4-ylethylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxamide (CID 91570828) is 5-hydroxy-2-(2-morpholin-4-ylethylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 5-hydroxy-2-(2-morpholin-4-ylethylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 5-hydroxy-2-(2-morpholin-4-ylethylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxamide is NC(=O)c1nc(NCCN2CCOCC2)nc(-c2ccc(C#Cc3cccnc3)cc2)c1O.
What is the InChIKey of 5-hydroxy-2-(2-morpholin-4-ylethylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is WWMKPMNJSDKKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c25-23(32)21-22(31)20(28-24(29-21)27-10-11-30-12-14-33-15-13-30)19-7-5-17(6-8-19)3-4-18-2-1-9-26-16-18/h1-2,5-9,16,31H,10-15H2,(H2,25,32)(H,27,28,29).
What are the key properties of 5-hydroxy-2-(2-morpholin-4-ylethylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxamide?
5-hydroxy-2-(2-morpholin-4-ylethylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(2-morpholin-4-ylethylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 91570828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).