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

C20H23N5OS — CID 92577605

IUPACN-(3-morpholin-4-ylpropyl)-5-pyridin-2-yl-4-thiophen-2-ylpyrimidin-2-amine
SMILESc1ccc(-c2cnc(NCCCN3CCOCC3)nc2-c2cccs2)nc1
InChIInChI=1S/C20H23N5OS/c1-2-7-21-17(5-1)16-15-23-20(24-19(16)18-6-3-14-27-18)22-8-4-9-25-10-12-26-13-11-25/h1-3,5-7,14-15H,4,8-13H2,(H,22,23,24)
InChIKeyGRMREAHDNVYXSZ-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.40
Rot. Bonds7

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

N-(3-morpholin-4-ylpropyl)-5-pyridin-2-yl-4-thiophen-2-ylpyrimidin-2-amine (PubChem CID 92577605) has the molecular formula C20H23N5OS and a molecular weight of 381.50 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-5-pyridin-2-yl-4-thiophen-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-5-pyridin-2-yl-4-thiophen-2-ylpyrimidin-2-amine
PubChem CID92577605
Molecular FormulaC20H23N5OS
Molecular Weight381.50 g/mol
Exact Mass381.16
IUPAC NameN-(3-morpholin-4-ylpropyl)-5-pyridin-2-yl-4-thiophen-2-ylpyrimidin-2-amine
SMILESc1ccc(-c2cnc(NCCCN3CCOCC3)nc2-c2cccs2)nc1
InChIInChI=1S/C20H23N5OS/c1-2-7-21-17(5-1)16-15-23-20(24-19(16)18-6-3-14-27-18)22-8-4-9-25-10-12-26-13-11-25/h1-3,5-7,14-15H,4,8-13H2,(H,22,23,24)
InChIKeyGRMREAHDNVYXSZ-UHFFFAOYSA-N
XLogP3.40
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.40
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

N-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 92571387
4,5-bis(furan-2-yl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 92571097
N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-2-amine
CID 91801780
5-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-ylpropyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 92571988
2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-2-ylpyrimidin-4-amine
CID 4193041
4-(2-methylfuran-3-yl)-N-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrimidin-2-amine
CID 92606419
N-(3-morpholin-4-ylpropyl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-amine
CID 4534225
2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
CID 24823423
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)thieno[3,2-c]pyridin-4-amine
CID 43522796
4-amino-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile
CID 146673965
5-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylthiophene-2-carboxamide
CID 95856416

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-5-pyridin-2-yl-4-thiophen-2-ylpyrimidin-2-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-5-pyridin-2-yl-4-thiophen-2-ylpyrimidin-2-amine (CID 92577605) is N-(3-morpholin-4-ylpropyl)-5-pyridin-2-yl-4-thiophen-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-5-pyridin-2-yl-4-thiophen-2-ylpyrimidin-2-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-5-pyridin-2-yl-4-thiophen-2-ylpyrimidin-2-amine is c1ccc(-c2cnc(NCCCN3CCOCC3)nc2-c2cccs2)nc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-5-pyridin-2-yl-4-thiophen-2-ylpyrimidin-2-amine?
The InChIKey is GRMREAHDNVYXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-2-7-21-17(5-1)16-15-23-20(24-19(16)18-6-3-14-27-18)22-8-4-9-25-10-12-26-13-11-25/h1-3,5-7,14-15H,4,8-13H2,(H,22,23,24).
What are the key properties of N-(3-morpholin-4-ylpropyl)-5-pyridin-2-yl-4-thiophen-2-ylpyrimidin-2-amine?
N-(3-morpholin-4-ylpropyl)-5-pyridin-2-yl-4-thiophen-2-ylpyrimidin-2-amine has a molecular weight of 381.50 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-5-pyridin-2-yl-4-thiophen-2-ylpyrimidin-2-amine is sourced from PubChem (CID 92577605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).