N-[2-[4-(furan-2-yl)quinolin-8-yl]-3-methylsulfanylpropyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine

C27H25N5OS — CID 123206558

IUPACN-[2-[4-(furan-2-yl)quinolin-8-yl]-3-methylsulfanylpropyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine
SMILESCSCC(CNc1cc(-c2ccc(C)nc2)ncn1)c1cccc2c(-c3ccco3)ccnc12
InChIInChI=1S/C27H25N5OS/c1-18-8-9-19(14-29-18)24-13-26(32-17-31-24)30-15-20(16-34-2)21-5-3-6-23-22(10-11-28-27(21)23)25-7-4-12-33-25/h3-14,17,20H,15-16H2,1-2H3,(H,30,31,32)
InChIKeyKLIQCKNMFPMDBG-UHFFFAOYSA-N
MW467.60 g/mol
LogP6.21
Rot. Bonds8

About N-[2-[4-(furan-2-yl)quinolin-8-yl]-3-methylsulfanylpropyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine

N-[2-[4-(furan-2-yl)quinolin-8-yl]-3-methylsulfanylpropyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine (PubChem CID 123206558) has the molecular formula C27H25N5OS and a molecular weight of 467.60 g/mol. Its IUPAC name is N-[2-[4-(furan-2-yl)quinolin-8-yl]-3-methylsulfanylpropyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-[4-(furan-2-yl)quinolin-8-yl]-3-methylsulfanylpropyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine
PubChem CID123206558
Molecular FormulaC27H25N5OS
Molecular Weight467.60 g/mol
Exact Mass467.18
IUPAC NameN-[2-[4-(furan-2-yl)quinolin-8-yl]-3-methylsulfanylpropyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine
SMILESCSCC(CNc1cc(-c2ccc(C)nc2)ncn1)c1cccc2c(-c3ccco3)ccnc12
InChIInChI=1S/C27H25N5OS/c1-18-8-9-19(14-29-18)24-13-26(32-17-31-24)30-15-20(16-34-2)21-5-3-6-23-22(10-11-28-27(21)23)25-7-4-12-33-25/h3-14,17,20H,15-16H2,1-2H3,(H,30,31,32)
InChIKeyKLIQCKNMFPMDBG-UHFFFAOYSA-N
XLogP6.21
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.60
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[4-(furan-2-yl)quinolin-8-yl]-3-methylsulfanylpropyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

(4-Benzyloxy-phenyl)-(6-furan-2-yl-quinazolin-4-yl)-amine
CID 22609796
6-(furan-3-yl)-N-phenylquinazolin-4-amine
CID 3232653
6-(3-furanyl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine
CID 3234345
6-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 3234739
6-(3-furanyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine
CID 3234850
6-(3-furanyl)-N-(3-pyridinylmethyl)-4-quinazolinamine
CID 3235429
6-(3-furanyl)-N-methyl-N-[(3-methyl-2-thiophenyl)methyl]-4-quinazolinamine
CID 44968224
7-(Furan-2-yl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 49841845
7-(Furan-2-yl)-4-(piperazin-1-yl)quinazolin-2-amine
CID 56835171
7-(furan-2-yl)-2-[(4-phenylquinazolin-2-yl)amino]-7,8-dihydroquinazolin-5(6H)-one
CID 665595
6-(Furan-3-yl)-4-(4-methylpiperazin-1-yl)quinazoline
CID 3232928
N-(furan-2-ylmethyl)-N-methyl-6-pyridin-3-ylquinazolin-4-amine
CID 3233053

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-yl)quinolin-8-yl]-3-methylsulfanylpropyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine?
The IUPAC name of N-[2-[4-(furan-2-yl)quinolin-8-yl]-3-methylsulfanylpropyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine (CID 123206558) is N-[2-[4-(furan-2-yl)quinolin-8-yl]-3-methylsulfanylpropyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-[4-(furan-2-yl)quinolin-8-yl]-3-methylsulfanylpropyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for N-[2-[4-(furan-2-yl)quinolin-8-yl]-3-methylsulfanylpropyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine is CSCC(CNc1cc(-c2ccc(C)nc2)ncn1)c1cccc2c(-c3ccco3)ccnc12.
What is the InChIKey of N-[2-[4-(furan-2-yl)quinolin-8-yl]-3-methylsulfanylpropyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine?
The InChIKey is KLIQCKNMFPMDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5OS/c1-18-8-9-19(14-29-18)24-13-26(32-17-31-24)30-15-20(16-34-2)21-5-3-6-23-22(10-11-28-27(21)23)25-7-4-12-33-25/h3-14,17,20H,15-16H2,1-2H3,(H,30,31,32).
What are the key properties of N-[2-[4-(furan-2-yl)quinolin-8-yl]-3-methylsulfanylpropyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine?
N-[2-[4-(furan-2-yl)quinolin-8-yl]-3-methylsulfanylpropyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine has a molecular weight of 467.60 g/mol, XLogP of 6.21, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-2-yl)quinolin-8-yl]-3-methylsulfanylpropyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 123206558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).