N-[4-[2-(diethylamino)ethylsulfanyl]phenyl]-4-pyridin-4-ylpyrimidin-2-amine

C21H25N5S — CID 15653033

IUPACN-[4-[2-(diethylamino)ethylsulfanyl]phenyl]-4-pyridin-4-ylpyrimidin-2-amine
SMILESCCN(CC)CCSc1ccc(Nc2nccc(-c3ccncc3)n2)cc1
InChIInChI=1S/C21H25N5S/c1-3-26(4-2)15-16-27-19-7-5-18(6-8-19)24-21-23-14-11-20(25-21)17-9-12-22-13-10-17/h5-14H,3-4,15-16H2,1-2H3,(H,23,24,25)
InChIKeyMLGURHVERQJPAU-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.72
Rot. Bonds9

About N-[4-[2-(diethylamino)ethylsulfanyl]phenyl]-4-pyridin-4-ylpyrimidin-2-amine

N-[4-[2-(diethylamino)ethylsulfanyl]phenyl]-4-pyridin-4-ylpyrimidin-2-amine (PubChem CID 15653033) has the molecular formula C21H25N5S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)ethylsulfanyl]phenyl]-4-pyridin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)ethylsulfanyl]phenyl]-4-pyridin-4-ylpyrimidin-2-amine
PubChem CID15653033
Molecular FormulaC21H25N5S
Molecular Weight379.53 g/mol
Exact Mass379.18
IUPAC NameN-[4-[2-(diethylamino)ethylsulfanyl]phenyl]-4-pyridin-4-ylpyrimidin-2-amine
SMILESCCN(CC)CCSc1ccc(Nc2nccc(-c3ccncc3)n2)cc1
InChIInChI=1S/C21H25N5S/c1-3-26(4-2)15-16-27-19-7-5-18(6-8-19)24-21-23-14-11-20(25-21)17-9-12-22-13-10-17/h5-14H,3-4,15-16H2,1-2H3,(H,23,24,25)
InChIKeyMLGURHVERQJPAU-UHFFFAOYSA-N
XLogP4.72
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-(diethylamino)ethylsulfanyl]phenyl]-4-pyridin-4-ylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)ethylsulfanyl]phenyl]-4-pyridin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[4-[2-(diethylamino)ethylsulfanyl]phenyl]-4-pyridin-4-ylpyrimidin-2-amine (CID 15653033) is N-[4-[2-(diethylamino)ethylsulfanyl]phenyl]-4-pyridin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[4-[2-(diethylamino)ethylsulfanyl]phenyl]-4-pyridin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[4-[2-(diethylamino)ethylsulfanyl]phenyl]-4-pyridin-4-ylpyrimidin-2-amine is CCN(CC)CCSc1ccc(Nc2nccc(-c3ccncc3)n2)cc1.
What is the InChIKey of N-[4-[2-(diethylamino)ethylsulfanyl]phenyl]-4-pyridin-4-ylpyrimidin-2-amine?
The InChIKey is MLGURHVERQJPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5S/c1-3-26(4-2)15-16-27-19-7-5-18(6-8-19)24-21-23-14-11-20(25-21)17-9-12-22-13-10-17/h5-14H,3-4,15-16H2,1-2H3,(H,23,24,25).
What are the key properties of N-[4-[2-(diethylamino)ethylsulfanyl]phenyl]-4-pyridin-4-ylpyrimidin-2-amine?
N-[4-[2-(diethylamino)ethylsulfanyl]phenyl]-4-pyridin-4-ylpyrimidin-2-amine has a molecular weight of 379.53 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)ethylsulfanyl]phenyl]-4-pyridin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 15653033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).