N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(3-morpholin-4-ylpropylamino)acetamide

C21H26N6O3S — CID 11956880

IUPACN-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(3-morpholin-4-ylpropylamino)acetamide
SMILESCc1ccc(-c2nc(NC(=O)CNCCCN3CCOCC3)cc(-c3nccs3)n2)o1
InChIInChI=1S/C21H26N6O3S/c1-15-3-4-17(30-15)20-24-16(21-23-6-12-31-21)13-18(26-20)25-19(28)14-22-5-2-7-27-8-10-29-11-9-27/h3-4,6,12-13,22H,2,5,7-11,14H2,1H3,(H,24,25,26,28)
InChIKeyPRSWSHHPOJZINB-UHFFFAOYSA-N
MW442.55 g/mol
LogP2.42
Rot. Bonds9

About N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(3-morpholin-4-ylpropylamino)acetamide

N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(3-morpholin-4-ylpropylamino)acetamide (PubChem CID 11956880) has the molecular formula C21H26N6O3S and a molecular weight of 442.55 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(3-morpholin-4-ylpropylamino)acetamide.

Molecular Properties

Compound NameN-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(3-morpholin-4-ylpropylamino)acetamide
PubChem CID11956880
Molecular FormulaC21H26N6O3S
Molecular Weight442.55 g/mol
Exact Mass442.18
IUPAC NameN-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(3-morpholin-4-ylpropylamino)acetamide
SMILESCc1ccc(-c2nc(NC(=O)CNCCCN3CCOCC3)cc(-c3nccs3)n2)o1
InChIInChI=1S/C21H26N6O3S/c1-15-3-4-17(30-15)20-24-16(21-23-6-12-31-21)13-18(26-20)25-19(28)14-22-5-2-7-27-8-10-29-11-9-27/h3-4,6,12-13,22H,2,5,7-11,14H2,1H3,(H,24,25,26,28)
InChIKeyPRSWSHHPOJZINB-UHFFFAOYSA-N
XLogP2.42
TPSA105.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
CID 11956881
3-(1,4-diazepan-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]propanamide
CID 67052060
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(3-morpholin-4-ylpropylamino)acetamide
CID 57473451
2-(4-cyclopentylpiperazin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
CID 11956948
3-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]propanamide
CID 67051946
2-[3-(aminomethyl)piperidin-1-yl]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
CID 57428296
N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[3-(propan-2-ylamino)pyrrolidin-1-yl]acetamide
CID 11956649
N-[2-(furan-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 24768400
N-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]propanamide
CID 143309402
1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 60545810
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-morpholin-4-ylpropylamino)acetamide
CID 4636553
1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 3546360

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(3-morpholin-4-ylpropylamino)acetamide?
The IUPAC name of N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(3-morpholin-4-ylpropylamino)acetamide (CID 11956880) is N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(3-morpholin-4-ylpropylamino)acetamide.
What is the SMILES notation for N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(3-morpholin-4-ylpropylamino)acetamide?
The canonical SMILES for N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(3-morpholin-4-ylpropylamino)acetamide is Cc1ccc(-c2nc(NC(=O)CNCCCN3CCOCC3)cc(-c3nccs3)n2)o1.
What is the InChIKey of N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(3-morpholin-4-ylpropylamino)acetamide?
The InChIKey is PRSWSHHPOJZINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3S/c1-15-3-4-17(30-15)20-24-16(21-23-6-12-31-21)13-18(26-20)25-19(28)14-22-5-2-7-27-8-10-29-11-9-27/h3-4,6,12-13,22H,2,5,7-11,14H2,1H3,(H,24,25,26,28).
What are the key properties of N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(3-morpholin-4-ylpropylamino)acetamide?
N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(3-morpholin-4-ylpropylamino)acetamide has a molecular weight of 442.55 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(3-morpholin-4-ylpropylamino)acetamide is sourced from PubChem (CID 11956880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).