N-[(2S)-2-(5-methyl-2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-quinolin-6-ylpyrimidin-4-amine;sulfane

C24H25N5OS — CID 162158891

IUPACN-[(2S)-2-(5-methyl-2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-quinolin-6-ylpyrimidin-4-amine;sulfane
SMILESCc1cc([C@H](C)CNc2cc(-c3ccc4ncccc4c3)ncn2)c2c(n1)CCO2.S
InChIInChI=1S/C24H23N5O.H2S/c1-15(19-10-16(2)29-21-7-9-30-24(19)21)13-26-23-12-22(27-14-28-23)18-5-6-20-17(11-18)4-3-8-25-20;/h3-6,8,10-12,14-15H,7,9,13H2,1-2H3,(H,26,27,28);1H2/t15-;/m1./s1
InChIKeyZMEWEUUHEMASCG-XFULWGLBSA-N
MW431.57 g/mol
LogP4.66
Rot. Bonds5

About N-[(2S)-2-(5-methyl-2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-quinolin-6-ylpyrimidin-4-amine;sulfane

N-[(2S)-2-(5-methyl-2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-quinolin-6-ylpyrimidin-4-amine;sulfane (PubChem CID 162158891) has the molecular formula C24H25N5OS and a molecular weight of 431.57 g/mol. Its IUPAC name is N-[(2S)-2-(5-methyl-2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-quinolin-6-ylpyrimidin-4-amine;sulfane.

Molecular Properties

Compound NameN-[(2S)-2-(5-methyl-2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-quinolin-6-ylpyrimidin-4-amine;sulfane
PubChem CID162158891
Molecular FormulaC24H25N5OS
Molecular Weight431.57 g/mol
Exact Mass431.18
IUPAC NameN-[(2S)-2-(5-methyl-2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-quinolin-6-ylpyrimidin-4-amine;sulfane
SMILESCc1cc([C@H](C)CNc2cc(-c3ccc4ncccc4c3)ncn2)c2c(n1)CCO2.S
InChIInChI=1S/C24H23N5O.H2S/c1-15(19-10-16(2)29-21-7-9-30-24(19)21)13-26-23-12-22(27-14-28-23)18-5-6-20-17(11-18)4-3-8-25-20;/h3-6,8,10-12,14-15H,7,9,13H2,1-2H3,(H,26,27,28);1H2/t15-;/m1./s1
InChIKeyZMEWEUUHEMASCG-XFULWGLBSA-N
XLogP4.66
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.57
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-[6-(ethylamino)-3-pyridinyl]pyrimidin-4-amine;sulfane
CID 162215068
N-[3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-2-methylsulfanylbutyl]-6-quinolin-7-ylpyrimidin-4-amine
CID 123873688
N-[(2S)-2-(3,3-dimethyl-2H-furo[3,2-b]pyridin-7-yl)propyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine;sulfane
CID 158017312
N-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)propyl]-6-[8-(trifluoromethyl)quinolin-6-yl]pyrimidin-4-amine
CID 123757948
2-[5-[6-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propylamino]pyrimidin-4-yl]pyrazolo[3,4-b]pyridin-1-yl]ethanol
CID 118982561
N-[(2S)-2-[(3S)-3-methyl-2,3-dihydrofuro[3,2-b]pyridin-7-yl]propyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 118982627
N-[(2S)-2-(2-methylfuro[3,2-b]pyridin-7-yl)propyl]-6-(4-methylphenyl)pyrimidin-4-amine
CID 134212538
8-[(2S)-1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinolin-2-amine;sulfane
CID 161091361
N-[(2S)-2-(2,3-dihydro-1-benzofuran-7-yl)propyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine;sulfane
CID 159776657
6-(6-methyl-3-pyridinyl)-N-[(2S)-2-(4-methylquinazolin-8-yl)propyl]pyrimidin-4-amine;sulfane
CID 157078811
N-[(2S)-2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)propyl]-6-(5-methoxy-3-pyridinyl)pyrimidin-4-amine
CID 118982598
[8-[1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinolin-4-yl]methanol
CID 135217314

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(5-methyl-2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-quinolin-6-ylpyrimidin-4-amine;sulfane?
The IUPAC name of N-[(2S)-2-(5-methyl-2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-quinolin-6-ylpyrimidin-4-amine;sulfane (CID 162158891) is N-[(2S)-2-(5-methyl-2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-quinolin-6-ylpyrimidin-4-amine;sulfane.
What is the SMILES notation for N-[(2S)-2-(5-methyl-2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-quinolin-6-ylpyrimidin-4-amine;sulfane?
The canonical SMILES for N-[(2S)-2-(5-methyl-2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-quinolin-6-ylpyrimidin-4-amine;sulfane is Cc1cc([C@H](C)CNc2cc(-c3ccc4ncccc4c3)ncn2)c2c(n1)CCO2.S.
What is the InChIKey of N-[(2S)-2-(5-methyl-2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-quinolin-6-ylpyrimidin-4-amine;sulfane?
The InChIKey is ZMEWEUUHEMASCG-XFULWGLBSA-N. The full InChI is InChI=1S/C24H23N5O.H2S/c1-15(19-10-16(2)29-21-7-9-30-24(19)21)13-26-23-12-22(27-14-28-23)18-5-6-20-17(11-18)4-3-8-25-20;/h3-6,8,10-12,14-15H,7,9,13H2,1-2H3,(H,26,27,28);1H2/t15-;/m1./s1.
What are the key properties of N-[(2S)-2-(5-methyl-2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-quinolin-6-ylpyrimidin-4-amine;sulfane?
N-[(2S)-2-(5-methyl-2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-quinolin-6-ylpyrimidin-4-amine;sulfane has a molecular weight of 431.57 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(5-methyl-2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-quinolin-6-ylpyrimidin-4-amine;sulfane is sourced from PubChem (CID 162158891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).