7-[2-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-1-methylsulfanylethyl]-5H-furo[3,2-c]pyridin-4-one

C20H19N5O2S — CID 123679330

IUPAC7-[2-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-1-methylsulfanylethyl]-5H-furo[3,2-c]pyridin-4-one
SMILESCSC(CNc1cc(-c2ccc(C)nc2)ncn1)c1c[nH]c(=O)c2ccoc12
InChIInChI=1S/C20H19N5O2S/c1-12-3-4-13(8-21-12)16-7-18(25-11-24-16)22-10-17(28-2)15-9-23-20(26)14-5-6-27-19(14)15/h3-9,11,17H,10H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyUZYUNWAXERSCNV-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.80
Rot. Bonds6

About 7-[2-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-1-methylsulfanylethyl]-5H-furo[3,2-c]pyridin-4-one

7-[2-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-1-methylsulfanylethyl]-5H-furo[3,2-c]pyridin-4-one (PubChem CID 123679330) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is 7-[2-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-1-methylsulfanylethyl]-5H-furo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-[2-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-1-methylsulfanylethyl]-5H-furo[3,2-c]pyridin-4-one
PubChem CID123679330
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC Name7-[2-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-1-methylsulfanylethyl]-5H-furo[3,2-c]pyridin-4-one
SMILESCSC(CNc1cc(-c2ccc(C)nc2)ncn1)c1c[nH]c(=O)c2ccoc12
InChIInChI=1S/C20H19N5O2S/c1-12-3-4-13(8-21-12)16-7-18(25-11-24-16)22-10-17(28-2)15-9-23-20(26)14-5-6-27-19(14)15/h3-9,11,17H,10H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyUZYUNWAXERSCNV-UHFFFAOYSA-N
XLogP3.80
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[6-(ethylamino)-3-pyridinyl]-N-[2-(2-methylfuro[3,2-b]pyridin-7-yl)-2-methylsulfanylethyl]pyrimidin-4-amine
CID 123904725
6-(6-methyl-3-pyridinyl)-N-[(2S)-2-(4-methylquinazolin-8-yl)propyl]pyrimidin-4-amine;sulfane
CID 157078811
N,2-dimethyl-8-[4-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-3-methylsulfanylbutan-2-yl]quinoline-4-carboxamide
CID 123266333
[8-[1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinolin-4-yl]methanol
CID 135217314
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-[(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-[2-(4,5-difluoro-2-methoxyphenyl)propyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 73213576
5-fluoro-N-methyl-8-[(2S)-1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane
CID 157486204
8-[(2S)-1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinolin-2-amine;sulfane
CID 161091361
8-[2-[[6-[4-(1-methoxyethyl)phenyl]pyrimidin-4-yl]amino]-1-methylsulfanylethyl]-N-methylquinoline-4-carboxamide
CID 123691602
3,5-difluoro-N-methyl-8-[(2S)-1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane
CID 157284757
N-methyl-8-[(2S)-1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]-3-morpholin-4-ylquinoline-4-carboxamide
CID 118982772

Frequently Asked Questions

What is the IUPAC name of 7-[2-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-1-methylsulfanylethyl]-5H-furo[3,2-c]pyridin-4-one?
The IUPAC name of 7-[2-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-1-methylsulfanylethyl]-5H-furo[3,2-c]pyridin-4-one (CID 123679330) is 7-[2-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-1-methylsulfanylethyl]-5H-furo[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-[2-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-1-methylsulfanylethyl]-5H-furo[3,2-c]pyridin-4-one?
The canonical SMILES for 7-[2-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-1-methylsulfanylethyl]-5H-furo[3,2-c]pyridin-4-one is CSC(CNc1cc(-c2ccc(C)nc2)ncn1)c1c[nH]c(=O)c2ccoc12.
What is the InChIKey of 7-[2-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-1-methylsulfanylethyl]-5H-furo[3,2-c]pyridin-4-one?
The InChIKey is UZYUNWAXERSCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-12-3-4-13(8-21-12)16-7-18(25-11-24-16)22-10-17(28-2)15-9-23-20(26)14-5-6-27-19(14)15/h3-9,11,17H,10H2,1-2H3,(H,23,26)(H,22,24,25).
What are the key properties of 7-[2-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-1-methylsulfanylethyl]-5H-furo[3,2-c]pyridin-4-one?
7-[2-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-1-methylsulfanylethyl]-5H-furo[3,2-c]pyridin-4-one has a molecular weight of 393.47 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-1-methylsulfanylethyl]-5H-furo[3,2-c]pyridin-4-one is sourced from PubChem (CID 123679330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).