2-methyl-6-(3-methyl-1-benzofuran-5-yl)-N-[(1S)-1-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethyl]pyrimidin-4-amine

C24H22N6O — CID 127037103

IUPAC2-methyl-6-(3-methyl-1-benzofuran-5-yl)-N-[(1S)-1-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethyl]pyrimidin-4-amine
SMILESCc1nc(N[C@@H](C)c2cncc(-c3cn[nH]c3)c2)cc(-c2ccc3occ(C)c3c2)n1
InChIInChI=1S/C24H22N6O/c1-14-13-31-23-5-4-17(7-21(14)23)22-8-24(30-16(3)29-22)28-15(2)18-6-19(10-25-9-18)20-11-26-27-12-20/h4-13,15H,1-3H3,(H,26,27)(H,28,29,30)/t15-/m0/s1
InChIKeyWUXQNBGWVUPJFZ-HNNXBMFYSA-N
MW410.48 g/mol
LogP5.46
Rot. Bonds5

About 2-methyl-6-(3-methyl-1-benzofuran-5-yl)-N-[(1S)-1-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethyl]pyrimidin-4-amine

2-methyl-6-(3-methyl-1-benzofuran-5-yl)-N-[(1S)-1-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethyl]pyrimidin-4-amine (PubChem CID 127037103) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-methyl-6-(3-methyl-1-benzofuran-5-yl)-N-[(1S)-1-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(3-methyl-1-benzofuran-5-yl)-N-[(1S)-1-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethyl]pyrimidin-4-amine
PubChem CID127037103
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name2-methyl-6-(3-methyl-1-benzofuran-5-yl)-N-[(1S)-1-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethyl]pyrimidin-4-amine
SMILESCc1nc(N[C@@H](C)c2cncc(-c3cn[nH]c3)c2)cc(-c2ccc3occ(C)c3c2)n1
InChIInChI=1S/C24H22N6O/c1-14-13-31-23-5-4-17(7-21(14)23)22-8-24(30-16(3)29-22)28-15(2)18-6-19(10-25-9-18)20-11-26-27-12-20/h4-13,15H,1-3H3,(H,26,27)(H,28,29,30)/t15-/m0/s1
InChIKeyWUXQNBGWVUPJFZ-HNNXBMFYSA-N
XLogP5.46
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-6-(3-methyl-1-benzofuran-5-yl)-N-[(1S)-1-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethyl]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N~4~-[7-(1-Benzofuran-2-Yl)-1h-Indazol-5-Yl]pyrimidine-2,4-Diamine
CID 44543658
3-Benzofuran-5-yl-2-(5-pyridin-2-yl-pyrimidin-2-yl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11431026
3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 25190977
3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 25222706
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
CID 46225572
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
CID 46225574
3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 46226080
(2S)-1-(1H-indol-3-yl)-3-(5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propan-2-amine
CID 46226417
6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine
CID 11952560
6-(2-Furyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 11952670
6-(furan-3-yl)-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224367
3-(benzofuran-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905195

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-methyl-1-benzofuran-5-yl)-N-[(1S)-1-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(3-methyl-1-benzofuran-5-yl)-N-[(1S)-1-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethyl]pyrimidin-4-amine (CID 127037103) is 2-methyl-6-(3-methyl-1-benzofuran-5-yl)-N-[(1S)-1-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(3-methyl-1-benzofuran-5-yl)-N-[(1S)-1-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(3-methyl-1-benzofuran-5-yl)-N-[(1S)-1-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethyl]pyrimidin-4-amine is Cc1nc(N[C@@H](C)c2cncc(-c3cn[nH]c3)c2)cc(-c2ccc3occ(C)c3c2)n1.
What is the InChIKey of 2-methyl-6-(3-methyl-1-benzofuran-5-yl)-N-[(1S)-1-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethyl]pyrimidin-4-amine?
The InChIKey is WUXQNBGWVUPJFZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-14-13-31-23-5-4-17(7-21(14)23)22-8-24(30-16(3)29-22)28-15(2)18-6-19(10-25-9-18)20-11-26-27-12-20/h4-13,15H,1-3H3,(H,26,27)(H,28,29,30)/t15-/m0/s1.
What are the key properties of 2-methyl-6-(3-methyl-1-benzofuran-5-yl)-N-[(1S)-1-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethyl]pyrimidin-4-amine?
2-methyl-6-(3-methyl-1-benzofuran-5-yl)-N-[(1S)-1-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethyl]pyrimidin-4-amine has a molecular weight of 410.48 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-methyl-1-benzofuran-5-yl)-N-[(1S)-1-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 127037103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).