6-[6-(ethylamino)-3-pyridinyl]-N-[2-(2-methylfuro[3,2-b]pyridin-7-yl)-2-methylsulfanylethyl]pyrimidin-4-amine

C22H24N6OS — CID 123904725

IUPAC6-[6-(ethylamino)-3-pyridinyl]-N-[2-(2-methylfuro[3,2-b]pyridin-7-yl)-2-methylsulfanylethyl]pyrimidin-4-amine
SMILESCCNc1ccc(-c2cc(NCC(SC)c3ccnc4cc(C)oc34)ncn2)cn1
InChIInChI=1S/C22H24N6OS/c1-4-23-20-6-5-15(11-25-20)17-10-21(28-13-27-17)26-12-19(30-3)16-7-8-24-18-9-14(2)29-22(16)18/h5-11,13,19H,4,12H2,1-3H3,(H,23,25)(H,26,27,28)
InChIKeyJXSZTIQBHNHPJN-UHFFFAOYSA-N
MW420.54 g/mol
LogP4.94
Rot. Bonds8

About 6-[6-(ethylamino)-3-pyridinyl]-N-[2-(2-methylfuro[3,2-b]pyridin-7-yl)-2-methylsulfanylethyl]pyrimidin-4-amine

6-[6-(ethylamino)-3-pyridinyl]-N-[2-(2-methylfuro[3,2-b]pyridin-7-yl)-2-methylsulfanylethyl]pyrimidin-4-amine (PubChem CID 123904725) has the molecular formula C22H24N6OS and a molecular weight of 420.54 g/mol. Its IUPAC name is 6-[6-(ethylamino)-3-pyridinyl]-N-[2-(2-methylfuro[3,2-b]pyridin-7-yl)-2-methylsulfanylethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[6-(ethylamino)-3-pyridinyl]-N-[2-(2-methylfuro[3,2-b]pyridin-7-yl)-2-methylsulfanylethyl]pyrimidin-4-amine
PubChem CID123904725
Molecular FormulaC22H24N6OS
Molecular Weight420.54 g/mol
Exact Mass420.17
IUPAC Name6-[6-(ethylamino)-3-pyridinyl]-N-[2-(2-methylfuro[3,2-b]pyridin-7-yl)-2-methylsulfanylethyl]pyrimidin-4-amine
SMILESCCNc1ccc(-c2cc(NCC(SC)c3ccnc4cc(C)oc34)ncn2)cn1
InChIInChI=1S/C22H24N6OS/c1-4-23-20-6-5-15(11-25-20)17-10-21(28-13-27-17)26-12-19(30-3)16-7-8-24-18-9-14(2)29-22(16)18/h5-11,13,19H,4,12H2,1-3H3,(H,23,25)(H,26,27,28)
InChIKeyJXSZTIQBHNHPJN-UHFFFAOYSA-N
XLogP4.94
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[6-(ethylamino)-3-pyridinyl]-N-[2-(2-methylfuro[3,2-b]pyridin-7-yl)-2-methylsulfanylethyl]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-2-(2-methylfuro[3,2-b]pyridin-7-yl)propyl]-6-(4-methylphenyl)pyrimidin-4-amine
CID 134212538
N-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-[6-(ethylamino)-3-pyridinyl]pyrimidin-4-amine;sulfane
CID 162215068
7-[2-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-1-methylsulfanylethyl]-5H-furo[3,2-c]pyridin-4-one
CID 123679330
6-[6-(ethylamino)-3-pyridinyl]-N-[2-(1,5-naphthyridin-4-yl)ethyl]pyrimidin-4-amine
CID 123280961
N'-[5-[6-[[(2S)-3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-2-methylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]-N-methylethane-1,2-diamine
CID 155439991
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-methyl-8-[1-[[6-[6-[2-(methylamino)ethylamino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide
CID 130428762
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
8-[2-[[6-[4-(1-methoxyethyl)phenyl]pyrimidin-4-yl]amino]-1-methylsulfanylethyl]-N-methylquinoline-4-carboxamide
CID 123691602
N-[3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-2-methylsulfanylbutyl]-6-quinolin-7-ylpyrimidin-4-amine
CID 123873688
2-[[5-[6-[[3-(2-methoxyphenyl)-2-methylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]acetonitrile
CID 123442941
N,2-dimethyl-8-[4-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-3-methylsulfanylbutan-2-yl]quinoline-4-carboxamide
CID 123266333

Frequently Asked Questions

What is the IUPAC name of 6-[6-(ethylamino)-3-pyridinyl]-N-[2-(2-methylfuro[3,2-b]pyridin-7-yl)-2-methylsulfanylethyl]pyrimidin-4-amine?
The IUPAC name of 6-[6-(ethylamino)-3-pyridinyl]-N-[2-(2-methylfuro[3,2-b]pyridin-7-yl)-2-methylsulfanylethyl]pyrimidin-4-amine (CID 123904725) is 6-[6-(ethylamino)-3-pyridinyl]-N-[2-(2-methylfuro[3,2-b]pyridin-7-yl)-2-methylsulfanylethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[6-(ethylamino)-3-pyridinyl]-N-[2-(2-methylfuro[3,2-b]pyridin-7-yl)-2-methylsulfanylethyl]pyrimidin-4-amine?
The canonical SMILES for 6-[6-(ethylamino)-3-pyridinyl]-N-[2-(2-methylfuro[3,2-b]pyridin-7-yl)-2-methylsulfanylethyl]pyrimidin-4-amine is CCNc1ccc(-c2cc(NCC(SC)c3ccnc4cc(C)oc34)ncn2)cn1.
What is the InChIKey of 6-[6-(ethylamino)-3-pyridinyl]-N-[2-(2-methylfuro[3,2-b]pyridin-7-yl)-2-methylsulfanylethyl]pyrimidin-4-amine?
The InChIKey is JXSZTIQBHNHPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6OS/c1-4-23-20-6-5-15(11-25-20)17-10-21(28-13-27-17)26-12-19(30-3)16-7-8-24-18-9-14(2)29-22(16)18/h5-11,13,19H,4,12H2,1-3H3,(H,23,25)(H,26,27,28).
What are the key properties of 6-[6-(ethylamino)-3-pyridinyl]-N-[2-(2-methylfuro[3,2-b]pyridin-7-yl)-2-methylsulfanylethyl]pyrimidin-4-amine?
6-[6-(ethylamino)-3-pyridinyl]-N-[2-(2-methylfuro[3,2-b]pyridin-7-yl)-2-methylsulfanylethyl]pyrimidin-4-amine has a molecular weight of 420.54 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(ethylamino)-3-pyridinyl]-N-[2-(2-methylfuro[3,2-b]pyridin-7-yl)-2-methylsulfanylethyl]pyrimidin-4-amine is sourced from PubChem (CID 123904725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).