4,5-bis(furan-2-yl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine

C19H22N4O3 — CID 92571097

IUPAC4,5-bis(furan-2-yl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
SMILESc1coc(-c2cnc(NCCCN3CCOCC3)nc2-c2ccco2)c1
InChIInChI=1S/C19H22N4O3/c1-4-16(25-10-1)15-14-21-19(22-18(15)17-5-2-11-26-17)20-6-3-7-23-8-12-24-13-9-23/h1-2,4-5,10-11,14H,3,6-9,12-13H2,(H,20,21,22)
InChIKeyJWBDODMPGQJMPK-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.13
Rot. Bonds7

About 4,5-bis(furan-2-yl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine

4,5-bis(furan-2-yl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine (PubChem CID 92571097) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4,5-bis(furan-2-yl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,5-bis(furan-2-yl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
PubChem CID92571097
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name4,5-bis(furan-2-yl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
SMILESc1coc(-c2cnc(NCCCN3CCOCC3)nc2-c2ccco2)c1
InChIInChI=1S/C19H22N4O3/c1-4-16(25-10-1)15-14-21-19(22-18(15)17-5-2-11-26-17)20-6-3-7-23-8-12-24-13-9-23/h1-2,4-5,10-11,14H,3,6-9,12-13H2,(H,20,21,22)
InChIKeyJWBDODMPGQJMPK-UHFFFAOYSA-N
XLogP3.13
TPSA76.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.13
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-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrimidin-2-amine
CID 92606419
N-(3-morpholin-4-ylpropyl)-5-pyridin-2-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 92577605
4-(furan-2-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-pyridin-4-ylpyrimidin-2-amine
CID 155982497
2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
CID 24823423
N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-2-amine
CID 91801780
4-amino-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile
CID 146673965
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
4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carboxylic acid
CID 83182094
2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbothioamide
CID 107546554
5-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773073
5-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-ylpropyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 92571988
N-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 92571387

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(furan-2-yl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine?
The IUPAC name of 4,5-bis(furan-2-yl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine (CID 92571097) is 4,5-bis(furan-2-yl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4,5-bis(furan-2-yl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4,5-bis(furan-2-yl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine is c1coc(-c2cnc(NCCCN3CCOCC3)nc2-c2ccco2)c1.
What is the InChIKey of 4,5-bis(furan-2-yl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine?
The InChIKey is JWBDODMPGQJMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-4-16(25-10-1)15-14-21-19(22-18(15)17-5-2-11-26-17)20-6-3-7-23-8-12-24-13-9-23/h1-2,4-5,10-11,14H,3,6-9,12-13H2,(H,20,21,22).
What are the key properties of 4,5-bis(furan-2-yl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine?
4,5-bis(furan-2-yl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine has a molecular weight of 354.41 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(furan-2-yl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 92571097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).