4-(2-methylfuran-3-yl)-N-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrimidin-2-amine

C21H25N5O2 — CID 92606419

IUPAC4-(2-methylfuran-3-yl)-N-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrimidin-2-amine
SMILESCc1occc1-c1nc(NCCCN2CCOCC2)ncc1-c1ccncc1
InChIInChI=1S/C21H25N5O2/c1-16-18(5-12-28-16)20-19(17-3-7-22-8-4-17)15-24-21(25-20)23-6-2-9-26-10-13-27-14-11-26/h3-5,7-8,12,15H,2,6,9-11,13-14H2,1H3,(H,23,24,25)
InChIKeyMQSLIWHEKMLLCI-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.24
Rot. Bonds7

About 4-(2-methylfuran-3-yl)-N-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrimidin-2-amine

4-(2-methylfuran-3-yl)-N-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrimidin-2-amine (PubChem CID 92606419) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-(2-methylfuran-3-yl)-N-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methylfuran-3-yl)-N-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrimidin-2-amine
PubChem CID92606419
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name4-(2-methylfuran-3-yl)-N-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrimidin-2-amine
SMILESCc1occc1-c1nc(NCCCN2CCOCC2)ncc1-c1ccncc1
InChIInChI=1S/C21H25N5O2/c1-16-18(5-12-28-16)20-19(17-3-7-22-8-4-17)15-24-21(25-20)23-6-2-9-26-10-13-27-14-11-26/h3-5,7-8,12,15H,2,6,9-11,13-14H2,1H3,(H,23,24,25)
InChIKeyMQSLIWHEKMLLCI-UHFFFAOYSA-N
XLogP3.24
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine
CID 92606418
4,5-bis(furan-2-yl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 92571097
N-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 92571387
4-(furan-2-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-pyridin-4-ylpyrimidin-2-amine
CID 155982497
5-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-ylpropyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 92571988
4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(3-methyl-1,2-oxazol-5-yl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 95803559
N-(3-morpholin-4-ylpropyl)-5-pyridin-2-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 92577605
5-(4-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 171989086
4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carboxylic acid
CID 83182094
5-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773073
4-[4-(dimethylamino)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 162627933
5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 92567545

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylfuran-3-yl)-N-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-(2-methylfuran-3-yl)-N-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrimidin-2-amine (CID 92606419) is 4-(2-methylfuran-3-yl)-N-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-methylfuran-3-yl)-N-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-(2-methylfuran-3-yl)-N-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrimidin-2-amine is Cc1occc1-c1nc(NCCCN2CCOCC2)ncc1-c1ccncc1.
What is the InChIKey of 4-(2-methylfuran-3-yl)-N-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrimidin-2-amine?
The InChIKey is MQSLIWHEKMLLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-16-18(5-12-28-16)20-19(17-3-7-22-8-4-17)15-24-21(25-20)23-6-2-9-26-10-13-27-14-11-26/h3-5,7-8,12,15H,2,6,9-11,13-14H2,1H3,(H,23,24,25).
What are the key properties of 4-(2-methylfuran-3-yl)-N-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrimidin-2-amine?
4-(2-methylfuran-3-yl)-N-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrimidin-2-amine has a molecular weight of 379.46 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylfuran-3-yl)-N-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 92606419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).